data_2kyf_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 2kyf _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 ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.803 0.335 . . . . 74.51 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.29 -1.7 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 53.21 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.29 -66.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.41 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.83 158.14 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.957 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 160.16 76.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 75.44 110.857 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 51.4 112.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -57.42 -31.34 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.883 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.43 -35.5 65.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 64.43 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.41 -51.09 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 75.44 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.28 -31.08 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 72.05 111.144 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.58 -28.22 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.069 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.77 -54.5 13.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 73.54 110.916 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -66.92 -26.16 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.89 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.78 -51.32 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -133.08 42.92 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.931 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 151.7 43.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.532 0.682 . . . . 72.23 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.11 59.14 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.257 . . . . 74.41 112.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t0 51.44 28.99 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.89 -25.86 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.53 110.886 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -94.91 -176.71 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.35 160.21 32.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 73.4 110.866 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.05 30.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.718 2.278 . . . . 65.35 112.41 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.11 29.57 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -135.33 22.2 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.873 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -1.66 9.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.858 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -96.84 -11.85 24.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.82 -36.71 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.971 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -88.44 -31.2 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.161 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -89.97 -69.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.49 32.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 52.34 112.505 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -64.03 -49.18 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 72.43 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 p -53.05 -33.78 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.9 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -21.78 66.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.15 152.35 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 70.43 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -74.05 160.08 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 61.4 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -25.94 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.875 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -77.27 -36.78 54.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.873 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.37 -29.73 61.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.42 110.94 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.75 -12.86 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.952 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -82.21 -32.59 29.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.89 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -55.35 -29.2 57.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.03 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.43 -39.02 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.09 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -38.05 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.876 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -13.85 56.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.861 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mm -99.07 -15.11 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.135 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -25.35 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.905 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -68.15 94.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.882 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.39 8.0 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.912 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.33 -13.61 7.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.05 110.858 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 60.7 15.31 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.34 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -35.92 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.803 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.61 -13.48 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 71.14 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -132.39 169.79 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.44 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.5 80.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 63.33 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 172.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.2 110.94 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.96 -32.84 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 72.4 110.91 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -19.35 63.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 71.15 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.49 -11.04 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.63 -28.84 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 74.01 110.917 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -64.48 -12.89 48.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.902 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -97.33 24.08 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.901 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.36 -35.1 64.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.42 110.872 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -79.36 -12.36 59.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.923 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 6.42 43.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.905 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -103.12 -33.18 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.878 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -100.38 -20.89 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.84 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -111.86 -35.61 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.907 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m 62.19 59.08 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.87 -19.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 53.54 112.517 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 179.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 73.34 111.123 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.14 177.95 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 64.4 110.878 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -95.85 -166.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.24 111.101 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 26.3 mt -103.81 160.45 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.3 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -104.83 -179.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.093 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.7 -11.57 46.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.2 111.102 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 t -102.91 -1.36 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.836 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 25.4 mm-40 -113.15 -64.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.889 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -48.69 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.5 111.144 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -53.61 -51.78 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.886 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.7 m -55.28 -57.9 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.2 111.156 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -50.47 -45.42 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 14.5 tp -64.77 -36.93 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 72.13 110.929 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.18 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.145 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.24 -16.31 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.65 -55.24 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 27.1 t70 -59.19 -72.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.93 10.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.503 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.4 m-20 -106.3 -15.19 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.18 43.9 30.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 73.22 112.48 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -117.77 -17.14 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 73.32 110.884 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.73 21.6 76.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 72.11 112.508 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.95 126.39 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.23 110.873 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.3 mm -79.96 144.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.128 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.94 15.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 75.53 112.49 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.02 5.25 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 71.41 111.102 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -115.56 -19.62 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -112.87 9.68 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 75.03 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -91.8 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 72.13 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.537 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.28 -39.89 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.887 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.35 -33.07 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.929 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -15.01 58.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.834 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 103' ' ' GLN . 12.8 t -85.28 -78.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 74.45 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.13 -35.4 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 75.53 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.54 110.827 -179.776 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 74.12 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.32 -3.85 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.849 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mp -140.85 -46.59 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.139 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mt -125.93 158.51 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.917 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.06 160.44 78.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 74.34 110.856 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 75.54 112.374 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.4 p -53.96 -46.26 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.844 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.1 -35.36 73.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.847 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.33 -52.86 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.122 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.69 -23.38 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.42 111.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.47 -23.38 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.089 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.32 -26.83 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 53.31 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.77 -55.22 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -70.53 -11.91 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.79 -40.56 61.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -134.42 36.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 54.33 110.882 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.42 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.3 110.875 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.12 151.89 4.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 53.52 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.36 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 55.51 112.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t0 62.89 16.2 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.07 -37.53 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 55.43 110.889 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.95 170.27 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 73.2 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -157.73 148.89 16.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 74.34 110.853 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -11.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 75.05 112.334 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.92 25.28 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.889 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.94 18.36 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.872 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -118.75 -20.27 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -82.96 -8.85 59.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.4 -38.65 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.91 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.58 -25.91 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.093 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 t -94.69 -69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.852 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.474 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 53.5 mtp -63.33 -49.98 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 72.14 110.867 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.0 p -54.01 -33.39 57.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.34 110.891 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -63.8 -15.98 60.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.21 158.94 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 65.15 110.94 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 t -73.81 -179.72 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 74.24 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -16.6 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.848 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -89.65 -11.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.01 110.851 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -94.5 -35.7 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.13 -20.29 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -23.0 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.866 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.22 -46.64 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 52.13 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mp -55.8 -37.51 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.14 111.15 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -39.57 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.893 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -12.96 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.7 mm -99.04 -13.03 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.41 111.169 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.48 -25.75 17.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.93 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -69.16 117.46 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.18 10.62 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -1.65 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 52.54 20.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.906 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -71.07 -27.8 63.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.04 -16.55 7.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 71.1 112.452 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -133.0 169.28 17.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 75.01 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mt -116.98 83.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 72.15 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.31 174.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.898 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -62.86 -31.01 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 65.11 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.97 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -113.49 -29.45 7.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -42.15 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 8.5 ptpt -51.4 -29.51 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.912 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.66 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 70.22 110.933 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -79.06 -25.34 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -84.74 -13.14 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.922 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -0.48 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.904 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -99.39 -30.99 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 73.14 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -104.88 -18.15 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.892 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.81 -24.81 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.52 110.892 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.9 p 48.14 61.89 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 63.14 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.22 -15.36 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 72.23 112.479 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.55 175.64 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 65.32 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.7 -170.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.882 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -106.68 -166.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 63.13 111.184 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 52.9 mt -103.92 134.67 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -76.35 -179.25 5.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.151 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 -11.76 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -104.64 -8.06 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.14 110.838 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -98.39 -58.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.858 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -48.96 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.172 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.09 -46.57 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.919 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.5 m -55.68 -53.0 61.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -54.32 -48.34 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.51 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' HA2' ' A' ' 95' ' ' GLY . 15.4 tp -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.11 2.69 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.8 -15.12 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 61.33 111.115 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.413 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -120.44 -55.9 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -63.41 -72.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 61.88 10.84 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.811 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.15 -14.29 15.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.854 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.93 73.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 70.12 112.488 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.5 -39.22 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 74.34 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.46 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 89.69 18.13 52.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.505 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 120.85 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.709 0.29 . . . . 74.1 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.9 mm -73.28 153.05 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.42 111.145 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -138.53 -148.66 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 61.13 112.502 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.59 1.27 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 72.45 111.061 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.96 -0.45 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -133.31 5.35 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.21 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -94.01 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.32 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.538 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.59 -37.43 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.25 110.858 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.29 -31.42 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 1.0 OUTLIER -82.12 -15.64 52.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.89 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 103' ' ' GLN . 13.8 t -84.22 -78.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -35.59 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 63.53 110.901 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.851 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.795 0.331 . . . . 74.24 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.51 -1.66 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.15 110.843 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.23 -67.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.102 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.94 159.09 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.934 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 160.86 77.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 65.22 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.84 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 71.51 112.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -53.7 -46.63 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.813 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.3 -35.01 73.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.885 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.74 -52.84 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.68 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 61.32 111.124 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.95 -25.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.4 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.35 -45.85 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.14 111.121 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.9 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -73.29 -31.64 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.95 -40.22 63.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.55 110.916 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.1 m -138.95 41.15 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 65.04 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.67 -37.62 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.931 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.21 153.3 3.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 64.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.93 52.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 75.4 112.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 54.91 26.44 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 75.02 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -111.27 -24.12 10.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.68 175.1 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 63.55 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -149.94 152.55 34.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 74.32 110.884 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -12.25 32.51 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 72.24 112.365 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 22.39 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.94 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -131.88 14.88 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.5 -9.44 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -90.48 -13.79 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.44 -31.92 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.87 -31.12 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 73.41 111.148 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -88.31 -69.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.52 110.834 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.62 30.06 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 71.51 112.458 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.3 mtp -63.07 -54.06 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 74.12 110.829 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -34.06 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.841 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -59.61 -20.71 57.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -162.24 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.91 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -120.88 160.43 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -25.37 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.867 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -27.94 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.865 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -86.99 -30.75 21.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.37 -20.57 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.932 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -16.34 60.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.04 110.91 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.55 -50.78 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.882 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.86 -34.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.083 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -37.74 68.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -11.87 54.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.845 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.3 mm -99.33 -13.37 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.173 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.83 -25.72 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -69.6 118.64 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.922 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.93 9.59 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.12 -0.61 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.887 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 52.86 20.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.921 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.77 -23.49 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.812 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.99 -11.52 17.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 72.42 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -133.58 164.4 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.3 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.66 89.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.35 111.144 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.02 174.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.12 -33.02 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.52 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -61.65 -16.65 50.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 62.45 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.6 -18.13 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -29.71 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 65.45 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -19.81 62.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.848 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -95.14 21.01 8.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.05 110.946 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -55.52 -32.09 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.2 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.1 mt -80.69 -14.52 58.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 6.78 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -103.62 -30.76 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.04 -26.15 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -111.72 -34.22 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t 62.96 59.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.875 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.32 -20.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 74.31 112.45 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 174.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 73.55 111.127 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -174.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.872 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -113.06 151.68 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.3 111.096 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.04 134.43 55.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.893 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -175.57 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 65.12 111.124 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.89 -9.65 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.6 t -110.13 -4.81 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.826 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -98.53 -60.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.863 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -48.57 59.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.139 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -51.1 -46.68 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -59.69 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.25 111.127 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.43 -47.52 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.859 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD23 ' HA2' ' A' ' 95' ' ' GLY . 10.0 tp -64.6 -36.45 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 70.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.68 1.63 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.25 111.127 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.78 -16.64 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.122 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.87 -55.92 2.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.073 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 32.6 t70 -59.06 -71.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 60.27 9.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 -105.55 -18.65 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.34 16.79 73.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 72.11 112.482 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.35 -33.75 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 72.12 110.872 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.491 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 93.32 13.33 56.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 25.43 112.48 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.24 126.85 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 74.22 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.83 145.06 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.51 111.103 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.93 157.07 17.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 72.45 112.494 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -4.51 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 74.44 111.144 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -104.58 -21.08 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.43 0.12 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -78.21 -67.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.528 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.75 -35.46 31.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.94 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.05 -30.34 61.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.876 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.79 -16.77 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 103' ' ' GLN . 20.5 t -80.61 -77.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.158 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.53 -35.05 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.826 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.342 . . . . 75.34 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.3 -12.08 15.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 65.41 110.896 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.08 -46.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.127 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -131.06 158.91 39.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 75.34 110.938 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.6 160.9 78.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.723 0.773 . . . . 75.24 110.797 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 75.41 112.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.38 -46.57 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.837 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.52 -35.37 74.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.851 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.5 mt -75.51 -50.7 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.2 111.127 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.46 -26.6 43.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.118 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.66 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.42 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.14 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -57.83 -50.45 73.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.28 -44.21 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.884 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 m -134.06 41.35 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 71.15 110.913 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.19 -31.48 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.01 110.945 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.18 150.6 2.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.542 0.687 . . . . 64.32 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.78 65.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 75.44 112.379 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.43 33.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.87 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.97 -35.35 3.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.805 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.8 174.99 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.9 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.85 155.39 31.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 73.21 110.816 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.7 33.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 75.42 112.35 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 35.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.882 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -129.04 20.82 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.905 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 0.23 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.879 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -106.63 -13.31 15.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -91.27 -29.47 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.57 -24.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.23 111.184 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -99.06 -68.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.26 33.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.478 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 mtp -63.24 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 75.44 110.853 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.8 p -53.95 -35.25 61.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.874 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.76 -15.56 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 73.53 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -84.34 -163.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -120.62 158.74 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.869 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.61 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.815 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -73.6 -35.52 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.864 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.57 -46.35 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 74.12 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.65 -18.29 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.05 110.91 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -26.66 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.925 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.35 -46.01 89.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 mt -53.17 -40.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.34 111.117 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -40.15 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -12.47 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.835 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.3 mm -97.74 -17.24 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.103 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -25.5 18.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.901 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.46 117.8 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.73 -2.5 21.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.34 0.25 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.846 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.28 22.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -69.08 -14.83 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.63 -20.35 18.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 73.44 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -132.45 171.79 13.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 74.04 110.916 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -119.37 100.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.135 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.56 167.64 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 73.21 110.883 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -53.17 -29.85 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.842 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -61.84 -22.62 65.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.869 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.21 -17.43 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.886 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -29.5 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.5 ptpt -62.28 -28.6 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.862 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -91.61 23.54 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.05 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.77 -28.89 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.906 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -84.91 -13.73 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 6.01 30.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -104.7 -30.64 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -101.06 -18.83 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.822 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -116.71 -22.65 8.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p 48.36 60.87 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.34 110.834 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.51 -18.43 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 72.31 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 178.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 74.42 111.088 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.61 175.15 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 75.44 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -93.26 -168.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.16 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 78.8 mt -103.86 139.71 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 75.14 110.876 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -76.87 -177.42 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.1 111.18 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.11 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.31 111.097 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -108.47 -8.5 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 71.04 110.868 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.21 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 74.23 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -48.46 63.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.167 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.58 -49.67 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 m -52.36 -56.49 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.51 111.106 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.85 -47.43 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.91 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD23 ' HA2' ' A' ' 95' ' ' GLY . 29.3 tp -63.81 -34.3 77.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.02 3.28 49.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.132 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.76 -16.82 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 61.04 111.064 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.95 -56.06 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 63.54 111.081 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -63.16 -69.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.882 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 55.39 17.21 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 71.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.06 -11.94 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.87 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.8 78.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.438 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.23 -39.44 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 62.34 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.456 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 89.19 21.37 41.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 71.32 112.5 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.3 119.84 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 74.44 110.906 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.6 mm -68.78 152.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.21 111.148 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.28 -148.97 5.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.1 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.71 -1.58 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 63.23 111.114 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -113.89 -2.47 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.07 0.06 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.914 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -86.52 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 63.23 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.551 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.78 -36.73 38.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 75.12 110.904 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -31.97 63.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.898 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -81.5 -16.17 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.0 t -83.08 -78.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 65.32 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.03 -35.57 78.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.917 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.802 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 74.43 111.149 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -1.07 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.905 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -142.58 -67.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.25 111.167 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.11 158.7 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.922 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.51 160.51 77.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.748 . . . . 75.31 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 64.43 112.355 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -46.9 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.3 110.865 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.75 -34.27 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 75.04 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.2 -51.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 70.01 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.87 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 45.41 111.079 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.73 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.084 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.98 -34.24 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.102 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.76 -56.43 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.912 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -29.94 68.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.907 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -51.28 -47.97 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -135.84 42.96 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -57.8 -36.6 72.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.954 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.18 4.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 74.41 111.142 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.74 65.72 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 73.4 112.334 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.58 35.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -117.72 -1.44 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.51 110.833 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.93 169.87 12.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.875 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.72 162.3 52.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.683 0.754 . . . . 71.54 110.854 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -11.22 30.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 72.01 112.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 25.77 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.76 9.76 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.68 -29.54 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -69.18 -10.91 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.88 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -86.73 -32.26 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.96 -28.59 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.137 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -90.14 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 50.32 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.51 34.3 0.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 72.34 112.445 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mtp -64.72 -51.45 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 72.03 110.861 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.7 p -53.18 -33.28 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.881 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -60.57 -20.63 61.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.11 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -84.21 -165.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 74.05 110.849 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -121.06 179.29 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.32 52.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.11 110.88 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 m -98.87 -19.37 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.02 110.859 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -92.99 -46.93 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.34 -22.58 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.1 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.43 -27.16 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.16 -23.79 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 54.52 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mt -77.46 -31.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.3 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -25.29 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.903 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 0.24 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.858 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.0 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.947 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -67.42 117.28 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 61.03 110.874 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.1 -5.12 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -0.81 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 55.12 110.878 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.85 21.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -14.19 62.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.902 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.87 -20.59 17.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.2 112.479 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.01 170.19 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 75.35 110.853 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -118.34 94.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.11 165.09 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.27 -27.43 22.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.875 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.22 -24.27 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 -31.89 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -26.85 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -64.46 -9.37 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 72.15 110.916 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -100.26 48.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.34 110.901 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 73.4 t80 -80.25 -19.8 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 75.03 110.885 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -99.03 -9.4 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 1.7 57.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.52 110.958 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 5.4 ptm180 -105.84 -30.21 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -98.44 -23.82 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.864 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -113.67 -34.01 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t 63.56 65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.73 -16.19 1.41 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -176.24 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 74.51 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -81.24 176.46 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.3 m -95.87 -168.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.141 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.47 140.58 37.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.41 110.947 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -76.74 -179.41 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.42 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.5 -8.85 54.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -104.07 -12.05 16.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.82 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.02 -61.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.72 63.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.123 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -49.86 -46.08 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 73.03 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.1 m -57.91 -57.69 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 72.33 111.155 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.32 -51.11 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 1.1 tp -63.54 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.99 -2.62 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.41 111.084 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.58 -14.55 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.22 111.086 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -116.93 -55.84 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.102 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 3.9 t70 -61.08 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 55.04 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 54.71 14.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 10.7 m-20 -105.61 -17.78 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.32 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.3 61.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.489 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -100.59 -17.85 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.45 110.895 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.441 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 75.28 19.99 79.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 62.04 112.496 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.17 133.89 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 74.04 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.2 mm -88.25 144.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.121 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.3 -172.45 15.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.511 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 4.81 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.34 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.7 2.68 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.892 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.58 -0.42 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -93.11 -59.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.868 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.552 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.911 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.0 -31.18 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.401 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 1.2 ppp? -81.08 -17.67 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 103' ' ' GLN . 16.7 t -79.89 -77.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.21 110.949 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.851 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.751 0.31 . . . . 75.24 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -122.26 -4.05 8.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.904 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.98 -40.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.02 111.098 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mt -125.4 159.25 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.59 160.4 79.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.675 0.75 . . . . 74.43 110.854 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 73.3 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -58.78 -21.13 55.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 71.4 110.889 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.64 -35.43 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 71.1 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.2 mt -80.31 -40.34 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.15 111.142 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 -21.22 63.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 54.14 111.105 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.12 -23.87 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.51 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.47 -32.15 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.21 111.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -58.56 -60.11 4.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 72.55 110.92 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -67.33 -30.43 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.05 110.857 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.73 -39.49 52.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 64.52 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -141.54 40.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.42 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.23 -33.3 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.925 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.32 15.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.547 0.689 . . . . 54.14 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 150.74 68.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 74.21 112.321 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 42.83 34.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.878 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.51 10.94 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.845 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.64 176.26 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.894 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.18 160.2 40.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.4 110.885 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.61 36.33 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 74.13 112.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.7 32.69 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 71.22 110.935 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -133.36 13.29 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.09 -16.81 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -84.82 -12.08 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.874 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -82.95 -38.53 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.27 -31.32 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.25 111.109 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -88.55 -68.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.07 29.22 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.467 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.5 mtp -59.91 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 70.35 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 p -54.33 -34.79 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 71.32 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.91 -15.9 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.864 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.01 -161.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 72.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -120.62 159.05 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.806 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -45.75 52.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 71.01 110.845 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 t -61.27 -36.77 80.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.875 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.68 -36.52 65.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.27 -13.46 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.931 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -73.41 -31.5 63.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.36 -49.18 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.864 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -52.67 -43.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 111.147 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -38.2 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 74.22 110.871 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.79 58.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.7 -13.28 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 64.5 111.122 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.44 -25.56 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.92 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -70.05 118.69 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.32 15.74 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.25 0.89 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 51.37 21.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.919 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -73.98 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.885 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.36 -11.58 21.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 74.43 112.452 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.23 166.85 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 72.13 110.875 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.87 89.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.07 175.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.893 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.35 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 74.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -61.39 -17.9 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 72.51 110.831 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.48 -18.06 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.872 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.91 -28.58 61.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.4 ptpt -60.65 -24.62 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.924 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -93.1 22.25 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.3 -24.98 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 63.14 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -87.75 -14.95 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.904 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.34 12.44 10.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.67 -31.16 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.35 110.865 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -98.21 -21.58 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.874 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -117.44 -31.8 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 62.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 63.42 55.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.89 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.24 -21.24 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.32 112.503 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.89 176.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 75.31 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -69.34 -174.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.3 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.58 -168.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.153 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 23.5 mt -104.25 131.83 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 t -76.69 -177.03 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 75.15 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.42 -11.78 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.098 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 t -105.91 -6.35 18.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -99.26 -59.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -48.46 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.24 111.162 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -50.08 -46.66 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.44 110.893 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -59.44 -58.46 8.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.162 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -52.23 -47.77 65.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 71.55 110.899 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.49 HD23 ' HA2' ' A' ' 95' ' ' GLY . 11.6 tp -64.16 -36.58 84.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.932 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.29 3.0 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 54.34 111.091 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.92 -16.28 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.145 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.17 -56.16 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.2 111.056 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 31.9 t70 -59.05 -71.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.864 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 60.44 10.06 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.874 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.481 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.6 m-20 -105.63 -19.76 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.71 16.66 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 74.23 112.537 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.34 -38.23 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 75.43 110.871 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.49 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 99.04 13.86 38.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 72.13 112.495 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 126.14 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 71.13 110.915 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.8 mm -74.29 143.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.138 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.26 174.91 15.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 74.2 112.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.37 4.62 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 65.21 111.098 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -115.0 -19.75 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.872 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -113.09 6.66 17.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.902 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -88.22 -65.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.549 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.85 -37.2 41.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.885 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -32.83 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.894 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -79.69 -16.46 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 103' ' ' GLN . 17.5 t -81.55 -77.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.14 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.02 -35.37 79.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.882 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 51.31 110.896 -179.846 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 73.22 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -2.09 8.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.865 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.15 -47.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.24 111.103 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mt -125.83 159.42 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 45.35 110.928 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.47 160.42 79.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 73.34 110.916 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.02 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.238 . . . . 70.44 112.347 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -46.83 71.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.812 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.62 -35.09 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.92 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -75.6 -50.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 65.22 111.103 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -30.87 48.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.44 111.089 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.16 -23.93 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.121 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.16 -45.04 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 55.42 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.67 -50.45 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -71.52 -31.48 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -46.13 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.05 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.8 m -136.05 42.61 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.25 -38.46 71.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.54 110.909 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.95 148.55 13.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 51.21 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.08 69.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 73.43 112.374 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 60.06 18.51 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.33 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.95 -12.17 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.879 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.34 166.85 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.22 161.18 35.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.687 0.756 . . . . 71.22 110.852 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.3 30.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 72.53 112.352 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.28 32.65 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.891 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -127.93 20.16 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.905 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.49 7.06 8.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -115.55 -10.35 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -94.64 -25.46 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.93 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.47 -25.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 65.03 111.158 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 19.8 p -100.35 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' OG ' ' A' ' 33' ' ' SER . . . 121.98 37.99 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 64.3 112.555 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.7 mtp -66.01 -48.68 70.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 73.1 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 p -54.15 -33.3 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.83 -13.5 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -93.13 154.85 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.884 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -74.99 160.54 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.25 110.838 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -29.32 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.919 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -74.24 -33.5 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 61.22 110.842 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -70.07 -48.0 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.32 -20.91 64.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.906 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -70.7 -21.24 62.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.88 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.51 -46.57 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -58.93 -36.85 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.22 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.33 -37.59 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -10.91 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.45 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.58 -14.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.3 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 -25.72 20.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.894 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.29 118.77 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.867 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.52 8.45 31.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -0.55 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.873 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 52.81 20.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.895 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -69.8 -25.56 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.72 10.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 73.44 112.473 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -133.28 166.87 21.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 72.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.67 95.98 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.189 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.66 176.38 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.9 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.59 -33.5 74.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.889 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.85 -17.99 53.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.85 -19.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -29.11 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.921 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 7.3 ptpt -61.94 -24.48 67.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.934 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.13 21.61 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.948 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.45 -26.32 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 65.11 110.923 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.29 -12.1 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 75.31 110.897 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.17 13.24 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.14 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -31.1 7.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.848 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.73 -23.5 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -116.07 -29.34 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 62.43 110.839 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 t 63.45 57.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.865 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.52 -18.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.24 112.461 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 179.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 61.23 111.055 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.04 175.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.58 -167.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.3 111.125 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 46.0 mt -103.76 136.95 42.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -76.76 -177.94 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.158 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -9.58 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 t -108.3 -7.6 15.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.903 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -95.67 -60.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 75.15 110.903 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.73 67.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 73.05 111.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -49.69 -47.74 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -55.53 -56.86 15.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 71.44 111.117 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -52.21 -47.03 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.83 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.87 -34.7 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.911 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.45 5.99 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.087 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.93 -16.04 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.99 -55.96 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.126 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -69.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.915 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 56.89 15.65 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -115.88 -11.18 11.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 75.11 110.899 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.37 45.13 49.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.523 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.49 -16.83 14.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 72.03 110.844 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.03 10.79 59.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 72.52 112.492 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 123.57 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 74.34 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.3 mm -77.0 150.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.127 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.76 -156.45 7.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 61.04 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.69 37.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.722 0.296 . . . . 64.24 111.114 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -116.1 -2.93 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.896 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.67 6.95 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.906 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -95.84 -67.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 72.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.54 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.1 -38.25 50.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.905 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.1 -32.81 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.84 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -79.56 -15.88 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 103' ' ' GLN . 11.9 t -84.6 -78.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.146 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.48 -35.4 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.858 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.753 0.311 . . . . 72.04 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -124.25 -4.42 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.837 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.61 -64.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.067 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 mt -97.01 157.69 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.16 161.23 73.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 62.22 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 71.3 112.329 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.836 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.29 -34.91 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 71.14 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.4 mt -76.99 -52.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.141 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.84 -22.76 49.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.14 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.79 -28.82 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.34 111.11 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.67 -27.11 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.7 -55.38 10.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -24.99 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.835 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.67 -52.12 57.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.866 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -134.33 39.69 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -51.94 -36.94 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.909 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.49 149.78 7.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 74.4 111.097 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.43 53.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 74.55 112.348 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.84 28.48 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.86 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.55 8.09 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.893 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -132.82 -174.94 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.887 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 161.16 29.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.43 110.876 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.54 36.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.244 . . . . 75.44 112.362 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -116.13 30.91 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -134.94 15.63 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.858 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.96 -18.17 12.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.89 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -76.03 -16.54 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.835 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -80.7 -37.07 31.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -91.15 -31.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.05 111.157 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -87.8 -70.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 62.42 110.841 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.53 28.41 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 63.33 112.513 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 mtp -63.61 -49.14 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 75.52 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.2 p -53.81 -35.7 61.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.828 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -63.98 -15.29 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.938 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.78 156.18 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.893 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 t -74.25 163.7 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -16.48 57.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.859 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -89.54 -23.58 21.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 71.1 110.861 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.94 -35.51 32.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.64 -19.45 61.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.924 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -71.4 -28.39 63.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.903 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.05 -47.72 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 75.33 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.66 -28.21 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 62.13 111.129 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.68 1.09 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.846 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.8 mm -112.11 -7.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.41 111.133 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.73 -26.65 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.34 110.877 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.65 117.27 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 64.33 110.895 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.25 12.27 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.7 2.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.822 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 50.71 21.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.912 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -71.93 -16.79 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.59 -11.32 42.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.756 . . . . 64.11 112.522 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.34 164.41 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 70.11 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.1 mt -118.63 95.27 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 51.4 111.162 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.27 175.06 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.9 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -60.48 -33.95 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.76 -18.37 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.872 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -116.38 -15.82 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.867 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -29.86 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.922 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -62.21 -28.38 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.899 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -76.57 22.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.942 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' LYS . 7.2 t80 -53.79 -41.2 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 75.04 110.906 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -78.71 -11.45 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.915 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.62 4.93 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -102.18 -42.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.843 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.87 -26.91 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.871 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.34 -29.77 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.894 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t 58.18 62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 62.32 110.838 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.72 -12.34 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.474 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 72.42 111.111 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -75.87 176.16 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 1.7 m -104.41 151.65 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 79.1 mt -55.77 140.22 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -77.31 -175.06 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 73.4 111.153 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.95 -4.87 37.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.51 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.0 t -113.57 -6.61 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.872 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -95.28 -63.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.877 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.33 -47.87 36.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.45 111.126 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -49.48 -46.66 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.9 m -55.62 -57.89 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.15 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -52.98 -44.36 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 75.35 110.945 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.402 HD23 ' HA2' ' A' ' 95' ' ' GLY . 30.2 tp -63.25 -26.7 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.22 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.4 3.21 55.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.02 111.095 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.65 -17.15 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.12 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.6 -53.85 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.35 111.1 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -67.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.929 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 54.56 15.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -125.05 -18.14 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.48 44.19 22.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 70.51 112.502 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -101.14 -28.56 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.837 0.351 . . . . 75.51 110.855 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 88.06 10.61 68.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.3 112.482 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.47 128.67 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 73.5 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.17 146.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 64.23 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.55 175.58 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 75.25 112.468 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.05 2.26 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 75.11 111.092 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -108.76 -9.28 15.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.01 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.78 9.88 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 73.24 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -91.84 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.851 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.563 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.86 -38.41 55.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.944 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.9 -31.96 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.888 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -82.46 -11.96 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.9 t -88.06 -76.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.41 -35.09 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 64.53 110.863 -179.776 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.33 . . . . 75.2 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -120.79 -4.54 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.896 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -141.27 -42.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -129.17 159.43 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 160.83 79.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.714 0.768 . . . . 74.15 110.803 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 64.2 112.345 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 p -53.51 -46.29 70.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.55 110.871 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.31 -35.08 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.835 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.23 -52.49 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.146 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -23.19 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 54.32 111.062 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 -23.87 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.01 111.06 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.36 -27.36 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.21 111.08 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.51 -51.69 33.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.88 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -70.48 -25.91 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.1 -47.76 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.829 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.18 43.61 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.911 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.11 -32.19 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.3 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.43 3.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 71.21 111.111 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.54 48.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 71.53 112.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 t0 57.57 21.97 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.893 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.11 -36.86 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.885 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.48 166.62 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.86 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 151.23 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 73.42 110.886 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -13.7 35.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 73.31 112.346 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 21.72 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.908 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.38 17.14 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.11 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -118.27 -16.55 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.877 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -86.19 -9.64 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.868 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.25 -33.27 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.76 -26.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.154 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -96.53 -69.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.843 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 31.8 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.452 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtp -62.41 -51.17 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 75.2 110.862 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.4 p -54.26 -33.74 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 53.31 110.848 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.94 -14.6 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 74.52 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.33 -163.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -120.69 160.05 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -48.23 56.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.853 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -58.68 -35.16 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.31 -48.66 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.924 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.6 -18.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -70.2 -25.6 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.41 110.918 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.05 -46.23 91.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.63 -39.19 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.142 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -34.76 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.15 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 72.5 110.893 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mm -103.1 -18.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.35 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.83 -25.68 20.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.916 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.18 118.23 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.875 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -3.32 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.92 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -0.52 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.869 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.69 21.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.94 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -16.06 63.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.846 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.28 -19.91 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.41 112.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -132.18 169.79 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 71.42 110.854 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 mt -118.39 104.03 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.125 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.53 162.09 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.5 -30.19 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.26 -26.2 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 65.44 110.895 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -111.06 -14.74 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -29.79 61.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -61.68 -31.58 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.94 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.15 16.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -54.97 -32.38 61.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.12 110.935 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.9 mt -81.78 -9.27 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 75.24 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.8 5.33 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -104.82 -30.82 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.854 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.97 -15.58 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.889 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.31 -28.43 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.905 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m 51.65 63.97 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.861 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.24 -16.0 1.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 54.35 112.448 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.14 -179.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 75.4 111.061 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm85 -80.95 179.71 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.36 150.59 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.134 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 72.9 mt -55.6 135.79 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.3 t -76.64 -178.51 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.34 111.115 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -10.83 55.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.101 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -108.74 -4.57 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 75.11 110.869 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -99.95 -59.46 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 73.41 111.115 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -54.65 -46.68 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.1 m -58.06 -54.56 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.4 111.136 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.74 -47.11 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.903 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 21.8 tp -64.07 -38.02 89.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.911 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.34 -1.64 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.087 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.96 -18.21 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 63.3 111.099 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.89 -56.01 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 70.43 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 15.8 t70 -60.33 -71.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 44.13 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 46.54 24.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 94' ' ' ASP . 22.4 p30 -121.78 -11.99 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.901 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.83 54.29 3.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.512 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' CG ' ' OD1' ' A' ' 92' ' ' ASP . 66.4 m-20 -125.43 -15.49 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 74.12 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.75 12.94 49.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 72.31 112.484 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 136.36 26.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 70.12 110.889 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.4 147.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.12 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.83 -178.78 15.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.23 112.477 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.86 7.46 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 70.23 111.088 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -119.66 -5.82 10.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -129.21 3.01 5.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -86.51 -61.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.531 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.37 -37.54 48.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.903 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -30.35 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.03 110.893 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -83.41 -16.51 45.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.944 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 103' ' ' GLN . 13.9 t -83.14 -78.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.13 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -63.34 -35.47 80.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.881 -179.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.766 0.317 . . . . 71.41 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -121.22 -4.11 9.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.882 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.96 -47.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.151 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -125.81 159.05 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.902 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.5 160.89 78.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.704 0.764 . . . . 73.25 110.845 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 74.24 112.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 p -53.85 -46.33 71.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.898 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -59.47 -35.11 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.855 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -75.95 -52.96 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.146 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.68 34.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 64.25 111.136 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.67 35.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 72.34 111.093 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.24 -27.21 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.52 111.113 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.57 -51.99 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.884 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -72.53 -26.11 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.03 -49.37 71.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 75.01 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.0 m -131.36 38.01 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.72 -36.52 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.929 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.85 153.3 4.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 63.24 111.135 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 149.82 67.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 72.22 112.348 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 43.01 34.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 m -113.29 -25.24 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.853 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.56 171.17 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 162.21 59.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 73.35 110.888 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.71 29.19 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 74.4 112.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 2.06 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.911 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -102.9 7.34 39.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.9 -28.45 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.76 -8.06 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.883 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -88.36 -39.97 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.7 -24.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.106 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.6 p -96.89 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.842 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.01 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtp -72.98 -51.19 19.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.12 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.9 p -54.02 -33.24 56.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 53.43 110.885 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.31 -14.86 61.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 73.33 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -87.31 -164.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.864 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -120.66 155.83 33.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -31.12 5.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.866 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -70.9 -43.77 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.929 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -71.78 -33.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.14 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.39 -17.07 61.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -72.22 -32.69 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.902 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -55.04 -48.0 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.47 -43.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.31 111.12 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -38.33 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -14.01 60.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.895 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mm -99.6 -14.56 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.13 111.127 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.87 -25.07 19.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.923 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -70.76 99.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 7.77 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.843 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.46 -12.74 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.85 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 59.85 16.16 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -28.45 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.879 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.6 -19.03 5.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 70.12 112.529 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.23 171.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 75.43 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -115.43 77.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.52 111.161 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.94 168.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.847 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.55 -28.95 70.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.41 -22.52 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.6 -29.84 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.886 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -28.99 67.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 73.32 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -60.26 -25.84 65.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.897 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.66 48.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.921 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -83.18 -24.35 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 74.43 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.2 mt -88.29 -3.5 58.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 75.33 110.928 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 0.38 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.933 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -101.03 -30.86 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.862 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -99.23 -25.8 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.894 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -107.31 -34.76 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t 62.32 60.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.873 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.84 -16.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 74.31 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -176.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 64.51 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -83.85 -179.17 7.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.41 110.85 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -96.26 -167.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.156 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -104.46 157.3 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.934 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -104.88 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.51 111.179 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -13.19 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 72.35 111.124 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -101.49 -2.4 30.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 70.02 110.856 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -113.58 -63.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -48.22 63.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.106 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -56.79 -45.92 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 36.7 m -60.21 -56.09 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.22 111.118 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.42 -48.63 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.859 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 HD23 ' HA2' ' A' ' 95' ' ' GLY . 2.2 tp -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.941 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.61 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.35 111.098 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.97 -15.93 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.24 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.09 -55.55 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 8.4 t70 -59.96 -70.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.855 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 55.89 13.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.835 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 5.7 m-20 -104.67 -18.91 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.921 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.97 24.2 55.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 74.43 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.39 -15.69 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 71.02 110.904 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.476 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 78.14 -5.25 55.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 63.24 112.483 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -117.17 133.68 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 75.11 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mm -87.29 144.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.095 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.7 156.85 15.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.464 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.36 -7.59 32.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 64.15 111.085 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 -0.77 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.35 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -3.51 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.44 -57.84 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.861 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.538 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.84 -36.52 48.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.875 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -56.09 -28.13 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -86.52 -17.92 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.2 t -80.79 -78.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 40.44 111.117 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.17 -35.52 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.823 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.785 0.326 . . . . 71.34 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.36 -11.84 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.848 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.06 -61.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 73.14 111.168 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.33 155.77 16.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.44 159.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 61.11 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -49.56 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 71.45 112.356 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -57.2 -31.55 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.831 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -73.12 -35.2 66.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.51 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.48 -51.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.45 111.089 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.76 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.15 111.12 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.66 -26.02 45.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 63.1 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.71 -44.49 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.087 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.28 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 65.1 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -71.51 -31.72 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.827 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.14 -44.16 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.937 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 m -137.25 42.69 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.922 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.52 -35.9 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.906 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 145.53 17.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.693 . . . . 64.42 111.152 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.88 68.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.274 . . . . 74.44 112.345 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.6 t0 61.66 17.24 8.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 55.5 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -126.83 1.5 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.17 165.93 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.39 147.73 7.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.66 0.743 . . . . 73.53 110.845 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.84 17.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.51 112.351 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 24.62 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.54 110.937 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -135.16 18.59 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.895 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.79 -3.25 11.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.02 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -98.86 -12.29 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.85 -28.8 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.54 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.42 -30.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.32 111.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -89.09 -68.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.881 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.65 39.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 72.43 112.46 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.7 mtp -72.8 -52.53 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 74.24 110.886 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 p -54.03 -33.76 58.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.864 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.04 -16.87 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 75.25 110.898 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -86.97 -164.53 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.873 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -121.25 159.48 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 71.31 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -28.87 41.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 51.13 110.811 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.2 m -77.32 -28.61 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 70.42 110.844 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -85.56 -34.51 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.37 -40.89 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.936 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -19.57 40.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 75.24 110.897 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.66 -45.72 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.925 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -49.78 -34.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 73.14 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -40.49 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -14.41 51.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.895 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.7 mm -99.28 -11.05 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.66 -26.93 15.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.894 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.47 119.57 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 18.49 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.53 6.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.913 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 47.95 23.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.2 p -71.12 -14.67 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.87 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.38 -10.36 56.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 63.33 112.447 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -142.67 167.66 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.01 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 mt -118.05 102.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.129 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.57 164.44 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.922 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.34 -30.16 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.74 -23.31 64.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -112.94 -17.86 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.07 -31.22 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.916 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.8 ptpt -63.28 -27.11 69.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.906 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -92.93 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.93 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.4 mt -84.51 -8.31 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.915 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.2 -1.05 54.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -104.22 -29.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -100.04 -15.0 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -123.18 -34.92 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 74.24 110.881 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m 61.47 69.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 145.17 -12.91 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 75.11 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.79 -177.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 71.43 111.083 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.73 -178.46 6.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.866 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.34 -169.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 75.1 111.13 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 35.7 mt -104.58 133.65 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -77.18 -178.12 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 72.44 111.164 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.71 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.41 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -102.78 -9.1 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.827 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -99.43 -61.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.922 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -49.35 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.157 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -51.49 -45.96 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.907 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 m -55.69 -54.11 48.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 62.51 111.134 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.04 -50.68 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 HD23 ' HA2' ' A' ' 95' ' ' GLY . 16.5 tp -63.8 -35.78 81.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 75.23 110.928 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.9 4.65 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.19 -15.7 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.412 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -120.98 -55.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.22 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -63.48 -70.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.912 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 56.68 15.24 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.85 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.4 -10.57 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.1 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 60.04 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.05 -39.22 23.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 70.24 110.871 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.468 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 88.82 14.89 60.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 51.24 112.445 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 120.24 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 74.01 110.844 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.75 149.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.03 111.12 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.85 -157.22 8.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 73.33 112.504 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.52 5.24 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 74.32 111.091 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.77 -8.62 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 75.44 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.0 1.81 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -87.71 -68.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.4 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.556 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.94 -37.12 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.904 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.14 -31.61 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 62.11 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.412 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -82.19 -15.62 52.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.902 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.5 t -83.27 -78.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.141 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.11 -35.11 76.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.855 -179.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.771 0.319 . . . . 73.43 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.49 -10.46 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.846 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.7 -38.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 74.23 111.147 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -136.55 158.35 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.933 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.21 159.24 80.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 71.22 110.895 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -30.5 22.09 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 74.33 112.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -70.35 -47.18 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.877 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.14 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.858 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 mt -80.41 -51.99 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.109 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.62 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.066 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.17 59.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.91 -45.8 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.084 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.82 -49.69 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -31.85 67.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.842 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.28 -40.89 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.59 43.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.35 -35.15 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.907 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.86 152.69 5.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 61.5 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.84 49.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 73.31 112.351 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.4 t0 52.06 28.47 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -115.74 1.15 13.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.88 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -124.64 -177.12 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.55 161.21 32.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.698 0.761 . . . . 61.15 110.82 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -21.76 32.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 75.22 112.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 33.22 5.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.3 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.48 17.54 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.12 110.886 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.13 -9.37 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.909 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.85 -16.84 29.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.33 -38.16 27.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.03 -30.87 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.121 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -90.94 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.53 110.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.18 41.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 72.35 112.485 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 mtp -73.51 -50.54 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 71.11 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -33.67 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.53 -19.37 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -85.46 -160.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.891 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -120.32 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.877 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -6.0 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.86 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -99.93 -15.12 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 61.52 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -97.57 -36.2 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.932 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.76 -21.55 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.909 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -70.35 -26.1 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.898 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.61 -39.32 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.117 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -38.43 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -14.08 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 75.3 110.83 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -98.97 -14.51 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.098 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 -25.58 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.963 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -67.36 93.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 63.53 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.87 6.25 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.11 -13.53 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.51 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 60.0 16.29 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.897 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -37.89 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.881 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.21 -12.43 3.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 73.04 112.454 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.27 168.72 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 75.13 110.878 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.5 mt -115.76 77.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.161 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 175.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -65.09 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.859 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.01 -21.34 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.818 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.6 -29.32 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 74.03 110.902 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.9 ptpt -48.71 -28.98 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -93.4 44.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 74.54 110.939 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CD2' HD21 ' A' ' 67' ' ' LEU . 35.6 t80 -79.34 -30.92 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 64.05 110.864 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 67' ' ' LEU . 4.3 mt -82.83 -4.07 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.3 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 2.03 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.5 -31.14 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -97.28 -22.52 16.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.17 -34.91 5.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 64.38 60.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 61.54 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.72 -15.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 75.25 112.477 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.88 -178.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.12 111.076 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -77.71 -179.0 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.912 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.7 m -100.48 -166.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.25 111.169 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 44.2 mt -104.11 137.19 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.896 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.6 t -76.4 -178.7 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.153 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.36 -9.15 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.145 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 t -105.31 -8.53 18.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.814 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -99.14 -60.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.854 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -49.02 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.128 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.6 m -57.02 -56.9 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.129 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -51.03 -45.83 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 HD23 ' HA2' ' A' ' 95' ' ' GLY . 5.9 tp -66.78 -36.2 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.939 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.29 3.3 15.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 63.42 111.097 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.59 -15.71 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.12 111.146 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HA ' ' HB3' ' A' ' 105' ' ' MET . . . -117.88 -54.93 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.41 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 86' ' ' LEU . 29.8 t70 -58.65 -71.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.897 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 59.76 9.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.04 110.845 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.474 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.5 m-20 -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.52 110.896 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.437 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.8 15.65 74.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 71.34 112.49 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.474 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -83.58 -33.04 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 73.42 110.853 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.503 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 96.87 -8.66 65.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 74.52 112.515 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 132.63 55.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 65.22 110.856 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.4 mm -79.42 143.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.138 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.51 157.37 15.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 61.11 112.516 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.13 -4.53 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 62.33 111.12 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -101.84 -20.29 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.926 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -113.78 -3.94 13.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.894 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.35 -68.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.527 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.81 -34.58 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.894 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.97 -28.57 57.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.908 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.404 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.7 ppp? -83.94 -18.02 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 103' ' ' GLN . 16.6 t -79.71 -77.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.143 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.84 -35.15 79.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.88 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.887 -179.838 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.33 . . . . 74.14 111.125 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.25 -4.41 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 63.13 110.83 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.5 -39.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 65.25 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.8 158.53 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.927 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.26 160.44 77.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 73.12 110.853 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.723 2.282 . . . . 71.04 112.335 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 p -53.15 -46.53 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 75.12 110.839 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.81 -34.81 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.922 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.53 -51.02 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.149 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -24.54 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.098 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.52 -22.61 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.05 111.101 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.88 -45.39 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 71.11 111.117 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.83 -50.85 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.919 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -71.4 -31.87 67.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.846 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.62 -39.91 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 m -139.71 45.46 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.848 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.48 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.58 147.03 8.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 71.23 111.058 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 141.21 44.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 72.4 112.372 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 60.45 18.45 8.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 64.3 110.853 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.15 18.11 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.868 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.89 162.91 27.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.05 160.7 61.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 70.11 110.85 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.15 37.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 75.03 112.372 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 12.55 24.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.875 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -105.88 15.79 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.37 -3.3 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.871 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -102.93 -11.08 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.61 -30.07 15.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.908 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.47 -26.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.123 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 t -96.22 -69.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.04 30.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 72.43 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.4 mtp -60.41 -53.53 56.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 75.14 110.878 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 m -53.98 -33.56 57.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 70.43 110.875 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -63.99 -15.94 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.03 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -85.84 -161.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.837 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -30.03 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.857 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -74.51 -36.98 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.876 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -75.62 -31.1 59.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 73.24 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.89 -14.66 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 62.04 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -69.88 -42.45 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.85 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -49.85 -47.12 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 73.53 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.03 -45.85 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 72.13 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -36.85 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.904 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.868 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.9 mm -99.45 -12.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 72.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.13 -24.86 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.64 94.92 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 72.54 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 7.21 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 60.31 110.876 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -122.86 -13.78 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.86 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 60.97 15.6 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.919 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -37.08 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.845 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.52 -14.31 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 74.55 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -132.86 170.8 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 74.31 110.904 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.5 83.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 71.15 111.106 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 158.31 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.52 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -53.59 -26.54 22.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.85 -25.95 67.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 61.31 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -109.31 -27.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.928 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -27.96 66.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.966 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -63.06 -13.05 31.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 65.35 110.89 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.23 40.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.912 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -81.47 -19.98 41.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.2 110.842 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.1 mt -93.25 -5.55 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.928 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 3.18 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.895 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.52 -35.56 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -95.75 -25.44 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.908 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -107.96 -35.99 6.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t 61.03 63.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.01 -15.69 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 51.31 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 179.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 74.24 111.084 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -79.52 179.43 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.91 150.85 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.173 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 45.0 mt -56.33 132.3 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -76.85 -178.23 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.52 111.14 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.84 -10.52 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.15 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -106.57 -10.22 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.804 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -94.76 -61.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.89 62.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.54 111.126 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -49.34 -45.93 46.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.03 110.957 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.7 m -61.72 -60.78 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.03 111.121 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -50.99 -37.88 47.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.889 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD23 ' HA2' ' A' ' 95' ' ' GLY . 60.8 tp -73.95 -35.58 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.897 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.72 21.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 61.1 111.071 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.94 -16.31 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 62.34 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 -55.54 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.02 111.115 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.449 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 28.3 t70 -58.98 -73.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 63.53 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 59.58 10.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.875 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.1 m-20 -106.11 -15.29 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.834 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.73 43.14 29.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 63.4 112.48 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -114.7 -31.73 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 73.3 110.85 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.47 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 97.17 -8.57 64.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 71.14 112.506 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.31 134.68 55.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 75.01 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.91 143.38 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.24 111.156 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.91 174.33 15.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 73.43 112.521 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.4 2.75 30.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 71.32 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -112.0 -10.5 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -123.58 4.41 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.89 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -86.97 -67.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.869 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.52 -36.24 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.878 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -32.58 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.89 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -79.5 -16.62 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 103' ' ' GLN . 17.8 t -81.99 -78.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.24 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -35.68 81.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.897 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.848 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 74.25 111.128 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -122.42 -6.69 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 73.35 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.94 -42.93 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.33 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.44 157.85 37.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.963 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.56 161.4 74.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 60.13 110.846 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.28 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 64.22 112.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -53.15 -46.38 68.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -58.02 -35.31 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 75.02 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.16 -51.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.155 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.0 70.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.094 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.96 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.54 111.077 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.31 -44.57 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 55.43 111.115 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -56.44 -46.69 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.905 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.76 -31.74 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -52.32 -39.57 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.5 m -138.69 39.43 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.897 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.81 -37.36 59.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.916 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -53.73 155.32 5.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.702 . . . . 63.21 111.087 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.69 150.46 68.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 74.22 112.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.94 33.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 65.51 110.868 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 p -112.13 -13.82 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 65.23 110.826 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -114.47 -174.98 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 72.33 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.84 161.72 28.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 75.32 110.898 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -15.27 36.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 73.44 112.32 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.14 24.0 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.875 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -132.16 9.72 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.912 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 -32.08 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.886 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -69.25 -11.27 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.01 110.905 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -81.48 -40.31 23.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.897 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.38 -30.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.21 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.5 p -85.44 -70.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.56 39.22 0.51 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 71.25 112.509 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.96 -49.22 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 73.02 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.9 p -53.32 -32.87 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.41 110.857 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.66 -15.78 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.63 164.2 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -73.9 -177.8 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.847 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.17 1.04 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.14 110.818 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 m -107.0 -30.95 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -73.31 -25.15 60.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.64 -19.35 45.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.923 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -71.64 -32.38 67.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.858 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.08 -48.5 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.852 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.19 -36.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.4 111.159 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.67 -39.76 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.903 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.33 52.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.28 -13.69 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 -25.02 22.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.901 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -64.29 94.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 7.85 26.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.866 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.49 -12.24 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 51.43 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 59.21 16.64 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -34.87 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.86 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.19 -15.1 4.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 55.03 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -132.11 171.1 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 74.21 110.874 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mt -115.87 79.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 74.12 111.107 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.13 170.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.878 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.9 -30.99 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -23.62 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 70.41 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.24 -27.71 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 73.01 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -30.7 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.916 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.92 -30.93 70.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.865 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.8 16.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.906 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.46 -30.81 61.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 67' ' ' LEU . 2.2 mt -82.95 -9.64 59.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.13 8.59 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.14 -31.1 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.857 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -96.16 -27.85 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -109.87 -32.99 6.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.884 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 64.15 59.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.858 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.32 -18.57 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 65.42 112.513 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.11 -179.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 75.02 111.119 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -78.27 175.99 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 75.35 110.889 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.1 152.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.1 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 81.4 mt -55.63 138.88 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.11 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -77.16 -177.12 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.143 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.63 -7.97 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.33 111.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.9 t -111.75 -6.02 14.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.832 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -95.75 -61.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -47.73 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.114 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -49.95 -54.57 18.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -51.55 -55.67 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 73.32 111.184 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -51.71 -44.22 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.523 HD12 ' CB ' ' A' ' 90' ' ' ASP . 10.7 tp -68.04 -25.01 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.91 0.08 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.3 111.132 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 -18.12 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.54 111.089 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.85 -12.22 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.22 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.523 ' CB ' HD12 ' A' ' 86' ' ' LEU . 25.9 t70 -133.18 24.37 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 53.23 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.95 -14.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.84 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 90' ' ' ASP . 10.1 p30 -61.69 -27.67 68.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.41 43.32 4.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 73.52 112.48 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -104.32 -30.54 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 75.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.22 15.83 58.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 71.31 112.479 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 135.11 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 75.51 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mm -80.48 147.46 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.133 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.31 175.47 17.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 73.32 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.34 7.01 17.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 75.13 111.126 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -117.59 -12.69 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.43 -2.57 9.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.896 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -77.02 -65.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.83 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.518 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.85 -36.13 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 75.24 110.923 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.11 -27.45 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.32 110.909 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -87.5 -16.76 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 103' ' ' GLN . 16.7 t -81.76 -77.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.5 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -35.48 80.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 65.24 110.857 -179.812 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.766 0.317 . . . . 63.14 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.25 -5.6 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.855 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.09 -63.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.154 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -97.95 156.78 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.921 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.69 159.94 73.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.708 0.766 . . . . 74.02 110.807 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 74.02 112.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -53.91 -48.5 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.889 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.47 -34.84 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 63.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.4 mt -74.65 -52.82 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.12 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.03 -23.2 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 72.14 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.96 -24.64 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.41 111.079 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.73 -24.14 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.73 -56.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -23.57 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.38 -51.68 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 63.51 110.907 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 m -133.24 43.01 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.911 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.07 -37.9 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.946 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.27 150.44 8.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 64.42 111.056 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.57 60.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 72.14 112.331 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 61.4 17.38 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 -15.41 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.864 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -92.69 166.72 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.43 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.41 156.65 31.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 72.05 110.854 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -16.25 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.22 . . . . 73.42 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 30.85 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.935 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -135.33 17.63 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -117.15 -22.6 8.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -78.18 -14.97 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.891 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -85.06 -34.65 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -92.83 -29.57 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.13 111.146 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.28 -67.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.87 45.79 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 63.32 112.491 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 32.9 mtp -73.64 -49.84 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 61.33 110.893 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.7 p -53.25 -35.24 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.852 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -62.36 -19.23 63.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -90.98 150.4 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.887 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -73.91 160.83 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.77 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -74.79 -36.81 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 54.33 110.873 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.19 -33.35 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -76.24 -14.08 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.957 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -42.53 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.865 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -48.42 -45.63 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mt -48.95 -45.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.087 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.29 -39.15 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.866 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -9.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.877 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.0 mm -101.79 -19.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.145 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.41 -26.28 21.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 62.42 110.946 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.19 121.6 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -130.0 3.15 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.875 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 51.36 22.2 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.933 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -60.74 -18.16 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.838 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.29 -16.27 12.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 73.33 112.519 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -144.23 144.88 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.352 . . . . 75.4 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mt -91.76 103.67 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.128 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.44 164.23 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.826 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -53.53 -29.68 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.851 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.31 -23.74 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.836 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.72 -14.89 13.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.44 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -29.09 56.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 72.03 110.929 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.05 -12.69 41.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.888 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -102.97 47.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 74.53 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 64.5 t80 -87.72 -21.17 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 67' ' ' LEU . 3.1 mt -97.46 -2.22 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.69 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.15 110.941 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -110.35 -42.44 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.87 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -85.3 -24.12 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.901 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -114.49 -25.13 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p 47.18 77.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.893 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.17 -10.19 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 74.3 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -175.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 72.45 111.136 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -84.94 175.55 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 73.33 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -98.63 150.84 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.35 111.078 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 38.2 mt -55.88 131.47 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -76.47 -179.06 4.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.149 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -12.18 50.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.13 111.113 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -103.78 -11.39 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.842 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -94.74 -61.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 52.33 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -48.46 69.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.14 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -50.97 -46.28 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.856 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.0 m -59.27 -58.61 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 74.33 111.093 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -51.14 -49.21 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' HA2' ' A' ' 95' ' ' GLY . 5.8 tp -63.82 -37.36 87.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.27 0.01 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.082 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.73 -16.03 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.12 111.107 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.68 -55.75 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 72.23 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 30.4 t70 -60.09 -72.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.884 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.43 11.03 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.02 110.839 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.489 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.8 m-20 -105.04 -20.5 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.867 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.09 25.32 49.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 64.34 112.49 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.89 -21.46 15.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 75.22 110.855 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.478 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 76.15 24.27 69.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 72.13 112.469 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 125.94 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 74.41 110.918 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.59 149.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.112 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.88 -178.34 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 72.25 112.478 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.18 7.24 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 72.31 111.115 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -117.92 -10.05 10.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.87 -6.8 9.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -74.43 -67.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.532 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.59 -36.19 33.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.918 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.21 -29.07 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -85.19 -17.47 37.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.901 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.2 t -81.42 -78.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 73.01 111.143 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.17 -35.32 80.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 62.03 110.948 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 52.25 110.86 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.785 0.326 . . . . 74.21 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -130.52 0.55 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.835 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.25 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.14 111.122 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.938 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.06 161.08 76.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 64.14 110.858 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 71.42 112.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -46.42 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.876 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -58.6 -34.05 70.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.8 mt -78.0 -52.32 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.087 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.16 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 60.2 111.115 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -28.12 60.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.089 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.09 -26.56 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.35 111.111 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.04 -54.86 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.939 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -71.19 -11.11 60.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.97 -40.27 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 63.03 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.88 38.12 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -60.31 -35.15 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.23 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.06 150.1 11.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 62.52 111.128 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.98 67.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 71.05 112.333 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.72 34.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 62.43 110.887 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -123.98 8.28 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.842 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.66 178.99 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.38 158.24 58.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 74.43 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.16 30.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 73.32 112.393 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 33.11 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -134.09 20.06 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.912 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -2.6 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -94.68 -15.2 24.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 72.24 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -84.7 -33.63 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.5 -31.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 65.42 111.171 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -90.12 -70.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 75.33 110.86 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.5 31.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 55.25 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.89 -49.37 70.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 71.03 110.911 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.04 -35.2 59.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 60.11 110.846 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -63.49 -19.74 65.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -89.65 152.72 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 74.51 110.882 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -74.4 163.29 27.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.865 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -19.17 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.86 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.9 p -82.88 -22.13 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 74.04 110.883 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -92.03 -28.05 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.42 -20.58 54.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.93 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -74.11 -23.52 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.08 -46.63 89.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.52 -38.02 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.35 111.122 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -37.89 68.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 65.45 110.869 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -12.55 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.6 mm -98.69 -12.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.169 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -25.6 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.927 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -69.45 118.77 12.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 65.23 110.884 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.66 12.93 24.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.885 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.9 0.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.873 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 51.78 20.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.952 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.31 -24.67 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.33 110.864 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.21 -16.27 10.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.489 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.91 169.49 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 75.32 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 mt -117.04 84.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 70.01 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.85 173.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.15 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.03 -32.59 73.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.858 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -61.23 -19.62 61.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.4 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.44 -19.23 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.904 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -32.13 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.58 -31.57 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.855 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.88 16.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 74.33 110.915 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.9 -31.96 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.41 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.6 mt -82.4 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.953 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.48 7.09 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 75.32 110.905 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -104.54 -30.4 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.878 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -99.28 -22.55 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -113.65 -33.57 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.834 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m 62.68 57.86 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.857 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 -21.22 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 74.11 112.455 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 75.22 111.108 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -79.04 179.75 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.72 150.12 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 62.4 mt -56.23 137.01 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.917 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -76.63 -174.82 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.69 -5.21 36.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 64.11 111.042 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.7 t -114.43 -3.45 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.837 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.38 -61.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -48.85 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.104 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -50.38 -48.04 56.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -54.89 -57.71 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 71.01 111.101 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -50.73 -47.65 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 8.9 tp -64.03 -36.33 83.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 74.02 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.48 3.36 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.116 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 -15.16 10.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.65 -57.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -62.44 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.858 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 68.13 7.41 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 -14.81 15.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.864 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.48 20.89 73.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 71.25 112.473 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.34 -37.7 51.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 71.15 110.849 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.46 21.52 44.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 70.22 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.59 116.95 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 74.33 110.926 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' CD1' ' OD1' ' A' ' 90' ' ' ASP . 6.1 mm -63.14 151.38 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 111.134 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.48 7.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 72.12 112.511 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.6 3.34 39.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 71.42 111.099 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -117.95 -5.29 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -126.9 2.23 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.892 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -91.14 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.539 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.04 -37.71 47.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.93 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -56.09 -31.35 63.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.1 -16.61 49.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.4 t -82.23 -78.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.15 111.128 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.84 -35.38 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 71.32 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 73.31 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.44 -0.09 4.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.22 110.875 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.602 HD13 ' CD ' ' A' ' 45' ' ' GLU . 5.3 mp -133.41 -38.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.137 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.82 158.1 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.926 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.87 158.98 79.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 75.24 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 72.31 112.316 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -53.43 -45.23 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.848 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.03 -44.53 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.834 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.2 mt -68.54 -55.03 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.087 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.97 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.31 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.83 39.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.55 111.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.73 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 61.4 111.1 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.34 -50.69 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.915 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -69.86 -31.15 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.876 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.29 -40.6 62.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.857 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.0 m -139.42 43.39 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.21 110.91 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.7 -35.65 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.915 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 150.43 7.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 65.13 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.96 49.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.74 2.293 . . . . 74.52 112.337 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 51.46 29.12 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.859 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.03 -21.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.45 110.857 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.84 176.74 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 73.53 110.884 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.79 158.08 50.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 72.04 110.902 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -12.1 32.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.63 2.22 . . . . 64.35 112.337 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 29.98 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.908 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -134.75 14.93 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.921 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.62 -9.32 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.923 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -94.69 -15.14 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 74.12 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.18 -31.96 30.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.58 -38.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.5 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -81.31 -74.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.846 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.4 35.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 74.22 112.49 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 32.1 mtp -70.49 -52.04 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 74.23 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.35 -33.9 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 75.34 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.2 -22.2 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 72.5 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -86.16 -163.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.918 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -120.25 160.74 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.867 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -47.14 55.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -60.62 -25.92 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.814 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -92.33 -15.31 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mt -96.08 -18.04 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.932 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -68.67 -25.12 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.915 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.602 ' CD ' HD13 ' A' ' 5' ' ' ILE . 1.2 pp20? -55.65 -49.4 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.818 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 mp -47.57 -45.56 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.183 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -37.76 68.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.922 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.15 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.3 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -105.61 -12.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 73.55 111.12 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.67 -25.69 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -68.89 118.17 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.927 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.83 7.13 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.853 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -1.51 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.88 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 52.6 20.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.3 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -24.74 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.874 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.14 -17.33 8.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 71.4 112.503 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -133.43 169.0 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 75.42 110.824 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.7 mt -117.3 82.85 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.44 172.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.65 -30.83 70.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.887 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.52 -18.59 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 64.21 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.38 -19.19 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.31 -29.66 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 72.31 110.915 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.7 ptpt -61.32 -27.88 68.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.887 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -92.07 23.38 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.97 -28.78 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 63.34 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -85.73 -12.08 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.927 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.86 7.77 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 70.3 110.917 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -106.2 -30.43 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.884 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.6 -22.36 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -115.28 -19.87 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p 46.98 61.52 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.892 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.28 -17.38 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.459 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.92 179.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 74.45 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -77.42 175.72 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 m -95.8 -168.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 55.44 111.096 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 67.9 mt -104.37 137.37 42.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -76.74 -176.07 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.02 111.13 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.71 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.094 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.3 t -109.0 -6.41 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 52.32 110.89 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -97.03 -60.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.859 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -48.95 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.31 111.145 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -51.41 -46.5 62.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 m -56.63 -57.53 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.131 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.24 -50.07 51.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.842 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD23 ' HA2' ' A' ' 95' ' ' GLY . 3.7 tp -64.74 -32.61 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.16 -3.95 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.25 111.096 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.23 -13.38 10.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 72.42 111.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -118.21 -40.67 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 50.15 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -93.65 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 50.63 21.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.819 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -105.43 -16.3 14.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.65 6.4 73.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 72.4 112.495 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.79 -42.69 63.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 74.34 110.871 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 89.53 16.28 57.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 72.23 112.498 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 123.26 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 73.12 110.927 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.57 147.24 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.127 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.06 -179.81 16.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 74.24 112.538 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.41 8.52 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 71.42 111.096 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -124.31 -4.27 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.18 9.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -96.11 -64.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.531 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.07 -37.62 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.915 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.03 -33.39 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.927 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.401 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 1.3 ppp? -78.07 -17.48 56.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.868 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 103' ' ' GLN . 18.7 t -80.15 -77.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.078 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.01 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.821 -179.806 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 70.11 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.67 -4.81 10.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 64.53 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -139.06 -47.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.144 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.84 158.89 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.891 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.75 160.81 78.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.678 0.751 . . . . 74.41 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 74.24 112.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -46.4 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.832 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -58.66 -35.2 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 55.02 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.78 -51.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.149 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.8 -22.35 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 53.15 111.079 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.63 -22.5 37.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.34 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.74 -29.37 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.5 111.108 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.42 -54.35 14.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -69.91 -26.48 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.43 -52.56 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -131.8 40.38 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.902 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -52.44 -36.54 54.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.919 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 72.41 111.056 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.89 68.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 71.23 112.344 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.85 34.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.6 -12.28 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.847 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -125.08 140.05 53.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.33 160.39 29.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 63.51 110.86 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.82 37.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 75.34 112.354 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.56 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.23 110.921 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -127.69 11.18 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -105.48 -19.18 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -81.6 -4.88 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -93.18 -36.87 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.914 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.12 -26.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.104 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.01 -69.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.878 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.57 40.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 53.34 112.484 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.7 mtp -70.93 -48.71 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 62.14 110.876 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.7 p -53.8 -33.87 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.846 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -16.81 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 75.11 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -92.85 159.84 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.903 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 179.33 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -10.16 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.844 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -93.19 -32.1 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.887 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.32 -35.64 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.925 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.95 -17.49 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.959 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -70.42 -26.3 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.901 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.56 -46.79 88.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.7 -37.36 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -38.63 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 71.11 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -12.49 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.906 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mm -97.12 -16.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.2 111.146 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.33 -24.98 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.907 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.51 117.14 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.865 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.9 0.58 35.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.51 110.906 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 0.77 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.852 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 51.75 21.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -69.32 -17.74 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.839 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.46 -16.32 21.9 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.809 -0.71 . . . . 61.53 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -132.93 166.53 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 73.13 110.865 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.16 105.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.79 168.41 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.905 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.72 -30.28 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.01 -22.65 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 63.51 110.862 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.12 -18.76 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.905 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -29.67 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.51 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.2 ptpt -62.47 -26.82 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 61.31 110.88 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -93.03 23.49 4.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.93 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.98 -27.83 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -83.37 -17.66 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.931 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 3.7 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 70.11 110.929 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.02 -30.62 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.861 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -105.48 -15.47 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 54.44 110.923 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -115.75 -35.12 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 72.1 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 59.46 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.849 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.25 -16.37 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 53.11 112.477 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.09 174.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 64.35 111.103 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -70.46 -173.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.86 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.68 -167.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.14 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 37.4 mt -103.94 134.56 47.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.922 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -77.04 -178.67 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.14 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.86 58.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.088 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.0 t -104.34 -9.49 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.15 110.854 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.81 -59.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -47.96 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.106 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -50.53 -51.81 44.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -52.35 -57.02 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.54 111.138 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -51.04 -46.55 61.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.53 HD12 ' CB ' ' A' ' 90' ' ' ASP . 10.9 tp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.892 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -2.13 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.55 111.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.87 -17.7 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 71.11 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.25 -9.71 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 65.25 111.104 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' HD12 ' A' ' 86' ' ' LEU . 1.3 m-20 -134.33 27.04 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.64 -17.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 65.42 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -60.39 -29.65 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 52.04 110.876 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.36 18.14 43.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 60.4 112.548 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.7 -33.59 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 74.23 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.41 12.09 70.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 63.41 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 120.29 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 75.25 110.877 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.0 mm -69.83 144.81 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.4 111.118 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.49 179.89 16.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 74.23 112.425 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.93 8.45 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 71.43 111.082 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -119.15 -12.11 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.42 110.902 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -124.63 9.7 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 71.54 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -94.59 -60.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.897 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.543 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.07 -37.33 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.23 110.959 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.22 -31.61 63.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 73.51 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -81.83 -15.05 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.904 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 103' ' ' GLN . 14.9 t -84.37 -78.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.42 111.12 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.39 -35.4 80.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.876 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.875 -179.804 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 70.15 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.68 -3.43 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.67 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.15 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -97.22 158.5 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.895 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 161.06 76.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.683 0.754 . . . . 65.25 110.806 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 75.32 112.367 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -54.81 -46.51 74.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.894 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.75 -34.98 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -75.49 -52.8 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.145 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.69 38.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.135 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.97 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.21 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.78 -45.55 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.14 111.087 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.88 -53.28 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 65.13 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -70.27 -31.57 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.873 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -39.8 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.908 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.71 46.18 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.848 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.08 -36.57 77.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.946 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 148.97 23.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 65.23 111.104 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.81 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.715 2.277 . . . . 73.14 112.326 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.32 29.21 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.79 14.66 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.854 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.35 164.63 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.897 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 160.72 58.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 73.24 110.869 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.83 34.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 62.52 112.345 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 29.81 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.886 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -134.99 17.65 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.16 -9.56 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -90.46 -15.14 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.853 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.56 -33.97 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.78 -31.19 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.117 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -91.8 -69.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.833 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.82 29.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 62.11 112.51 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.8 mtp -63.25 -49.02 75.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 73.5 110.869 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m -54.01 -35.12 61.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 54.44 110.873 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -66.02 -14.01 60.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.02 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.84 156.3 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 74.04 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 m -74.1 164.03 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 75.52 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -17.0 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.55 110.855 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -87.98 -32.58 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.907 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -73.72 -31.93 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 72.45 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 106' ' ' VAL . 6.4 mt -75.07 -18.05 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -70.21 -27.31 64.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.919 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -62.26 -46.77 87.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mt -58.47 -29.97 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 65.45 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -24.22 66.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.882 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -3.34 38.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 71.53 110.887 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mm -109.36 -14.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 65.35 111.115 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.08 -25.67 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 70.22 110.947 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.7 117.96 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 71.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 2.06 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.895 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.95 1.27 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.852 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 51.46 21.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -71.03 -17.36 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.77 -15.06 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 64.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -130.59 162.5 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 71.31 110.907 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -117.59 102.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.17 164.9 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.901 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.37 -28.88 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.852 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -24.08 67.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 70.53 110.927 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -112.8 -14.27 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.859 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -27.17 54.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.941 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -64.19 -11.96 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 65.11 110.931 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -97.27 22.22 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.44 -26.21 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.3 mt -86.75 -13.35 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.43 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 14.4 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.903 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -110.08 -34.77 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.873 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.22 -25.32 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.09 -32.99 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 72.23 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m 62.65 59.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 154.66 -19.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 41.05 112.479 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 179.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 65.42 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.52 179.72 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 73.45 110.908 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -99.82 -168.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -103.73 138.77 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.957 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -77.12 -176.72 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 75.02 111.158 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.39 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 73.33 111.079 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -106.67 -9.15 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.911 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -96.29 -62.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -47.69 58.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.31 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -48.73 -46.48 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.0 m -59.75 -59.87 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.53 -48.04 63.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.56 HD23 ' HA2' ' A' ' 95' ' ' GLY . 18.1 tp -63.59 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.919 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.8 2.91 24.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.13 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.01 -16.55 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.128 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.43 -55.58 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.097 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HB2' HD12 ' A' ' 86' ' ' LEU . 29.2 t70 -60.11 -71.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 54.44 110.876 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 58.34 11.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.456 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 2.1 m-20 -105.38 -19.61 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.843 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.02 26.44 48.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 73.04 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.456 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -98.47 -35.2 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 75.03 110.883 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 98.54 -7.48 61.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 70.33 112.507 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 133.51 55.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 75.4 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.3 mm -87.71 135.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.04 111.18 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.98 157.96 15.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.502 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.26 -10.64 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 61.04 111.095 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.86 -12.05 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 70.52 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -127.12 -1.25 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 71.42 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -77.11 -71.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.576 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.19 -35.11 34.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.53 110.915 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.57 -25.99 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.899 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -87.61 -18.18 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.891 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 103' ' ' GLN . 13.1 t -80.17 -77.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 74.52 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -48.93 -33.37 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.918 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.13 110.853 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.792 0.329 . . . . 74.31 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.03 -11.93 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 64.53 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.68 -43.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 65.32 111.139 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -128.03 158.24 38.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.941 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.83 160.89 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 75.2 110.829 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 74.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 p -55.28 -31.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.32 110.838 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.6 -35.55 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 62.13 110.84 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.29 -54.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.089 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.06 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 75.34 111.065 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.96 -19.91 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 63.21 111.107 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.35 -18.26 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.31 111.045 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.22 -57.15 4.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 75.01 110.967 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -3.57 35.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.893 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.31 -39.82 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -134.74 24.73 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -49.95 -39.56 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.933 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.14 152.37 4.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 71.24 111.124 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.51 53.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.724 2.283 . . . . 72.22 112.354 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.98 17.09 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.91 -18.12 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 65.05 110.836 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.63 161.3 14.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 73.3 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.78 156.85 36.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 74.13 110.863 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -26.74 27.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 72.51 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 22.38 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -122.65 16.27 10.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.932 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -116.89 -18.31 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.924 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -83.14 -8.98 59.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 64.23 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.11 -39.98 15.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -87.4 -28.42 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.111 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t -95.82 -69.01 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.898 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.03 61.62 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.494 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.5 mtp -89.16 -51.11 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 71.33 110.905 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -52.81 -33.98 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.817 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.79 -24.78 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 71.11 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -77.35 -162.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.87 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 t -120.93 158.33 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 53.13 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -26.77 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.847 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -76.77 -27.86 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.42 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -87.43 -33.04 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.92 -21.29 57.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.916 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -16.51 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.887 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.45 -46.67 63.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.71 -33.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.14 111.085 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -31.2 63.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.878 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -5.53 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.857 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.1 mm -106.6 -15.01 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.41 111.161 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -25.64 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.921 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -67.71 118.85 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.48 -2.49 28.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.848 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -0.25 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.888 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 51.71 21.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -68.79 -17.99 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.88 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.31 -19.09 13.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.742 . . . . 64.34 112.534 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.57 167.18 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 72.41 110.922 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.57 101.26 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.168 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.37 161.47 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.892 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.27 -29.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.851 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.03 -26.28 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -110.74 -17.25 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -29.8 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 73.14 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.0 ptpt -63.12 -16.77 61.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.877 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -100.18 41.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.974 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -78.6 -22.62 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.3 mt -90.19 -3.74 57.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.94 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 0.46 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -101.71 -30.91 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.923 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -100.58 -18.48 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.85 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -116.01 -35.83 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.906 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m 62.15 62.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.08 -15.13 1.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 55.42 112.507 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.43 179.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 71.1 111.121 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -76.86 -178.15 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.1 m -100.26 -168.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 20.1 mt -103.93 133.38 48.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 t -76.59 179.38 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.158 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.61 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 70.41 111.091 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 t -101.17 -10.91 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.853 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -97.95 -59.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.883 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -48.22 73.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.111 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -49.71 -51.01 41.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.9 m -51.66 -52.48 47.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.159 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -56.8 -44.27 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.87 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.505 HD12 ' CB ' ' A' ' 90' ' ' ASP . 10.4 tp -68.37 -16.15 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.76 -16.62 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.125 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.43 -17.07 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.22 111.088 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.69 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.079 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' HD12 ' A' ' 86' ' ' LEU . 29.8 t70 -104.04 26.43 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.862 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -49.93 -14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.864 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -64.45 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.837 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 44.45 4.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 63.42 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.72 -27.44 12.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 65.34 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.0 15.65 60.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 71.21 112.495 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 133.67 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 75.44 110.906 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.8 mm -75.11 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 157.1 19.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 73.42 112.476 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.16 -6.38 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 74.42 111.1 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -101.88 -24.18 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -110.84 0.11 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.22 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -75.88 -67.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.518 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.09 -35.47 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.908 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -27.56 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.918 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.91 -17.71 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.874 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 103' ' ' GLN . 17.4 t -79.85 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.5 -35.38 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 70.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.842 -179.773 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.9 0.381 . . . . 74.15 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 15.8 tp -52.29 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 71.52 110.928 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.43 29.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.193 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.29 -1.7 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 53.21 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.29 -66.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.41 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.9 mt -96.83 158.14 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.957 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 160.16 76.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 75.44 110.857 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 51.4 112.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -57.42 -31.34 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.883 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.43 -35.5 65.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 64.43 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.41 -51.09 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 75.44 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.28 -31.08 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 72.05 111.144 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.58 -28.22 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.069 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.3 mt -69.77 -54.5 13.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 73.54 110.916 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -66.92 -26.16 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.89 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.78 -51.32 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -133.08 42.92 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 75.02 110.931 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 151.7 43.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.532 0.682 . . . . 72.23 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.11 59.14 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.257 . . . . 74.41 112.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t0 51.44 28.99 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.89 -25.86 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.53 110.886 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -94.91 -176.71 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 75.12 110.871 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.35 160.21 32.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 73.4 110.866 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -24.05 30.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.718 2.278 . . . . 65.35 112.41 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.11 29.57 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -135.33 22.2 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.54 110.873 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -1.66 9.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.23 110.858 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -96.84 -11.85 24.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 64.13 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.82 -36.71 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.971 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mp -88.44 -31.2 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.161 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -89.97 -69.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.49 32.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 52.34 112.505 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -64.03 -49.18 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 72.43 110.907 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.0 p -53.05 -33.78 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.9 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -21.78 66.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.15 152.35 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 70.43 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -74.05 160.08 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 61.4 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -25.94 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 74.45 110.875 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -77.27 -36.78 54.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.873 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.37 -29.73 61.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.42 110.94 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.75 -12.86 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.952 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -82.21 -32.59 29.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.89 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -55.35 -29.2 57.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.03 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mt -76.43 -39.02 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.09 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -38.05 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.876 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -13.85 56.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.861 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 5.3 mm -99.07 -15.11 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.135 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.79 -25.35 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.905 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -68.15 94.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.882 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.39 8.0 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.912 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.33 -13.61 7.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.05 110.858 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 60.7 15.31 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.34 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -35.92 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.803 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.61 -13.48 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 71.14 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -132.39 169.79 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.44 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.5 80.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 63.33 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 172.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.2 110.94 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.96 -32.84 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 72.4 110.91 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -19.35 63.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 71.15 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.49 -11.04 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.63 -28.84 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 74.01 110.917 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -64.48 -12.89 48.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.902 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -97.33 24.08 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.901 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -55.36 -35.1 64.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.42 110.872 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -79.36 -12.36 59.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 74.12 110.923 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 6.42 43.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.905 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -103.12 -33.18 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.878 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -100.38 -20.89 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.84 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -111.86 -35.61 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.907 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m 62.19 59.08 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.87 -19.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 53.54 112.517 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 179.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 73.34 111.123 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.14 177.95 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 64.4 110.878 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -95.85 -166.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 75.24 111.101 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 81' ' ' GLU . 26.3 mt -103.81 160.45 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.3 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -104.83 -179.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.093 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.7 -11.57 46.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.2 111.102 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 t -102.91 -1.36 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.836 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' HB3' ' A' ' 77' ' ' LEU . 25.4 mm-40 -113.15 -64.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.889 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.86 -48.69 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.5 111.144 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -53.61 -51.78 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.886 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.7 m -55.28 -57.9 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.2 111.156 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -50.47 -45.42 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.447 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 14.5 tp -64.77 -36.93 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 72.13 110.929 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.18 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.145 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.24 -16.31 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.65 -55.24 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 27.1 t70 -59.19 -72.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.93 10.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.503 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.4 m-20 -106.3 -15.19 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.18 43.9 30.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 73.22 112.48 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.503 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -117.77 -17.14 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 73.32 110.884 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.73 21.6 76.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 72.11 112.508 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.95 126.39 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.23 110.873 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.3 mm -79.96 144.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 72.44 111.128 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.94 15.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 75.53 112.49 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.02 5.25 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 71.41 111.102 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -115.56 -19.62 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.34 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -112.87 9.68 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 75.03 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -91.8 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 72.13 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.537 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.28 -39.89 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.887 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.35 -33.07 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.929 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -78.95 -15.01 58.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.834 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 103' ' ' GLN . 12.8 t -85.28 -78.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 74.45 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.13 -35.4 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 75.53 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.54 110.827 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 71.01 110.831 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 tp -84.96 -75.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.906 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.69 27.25 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 74.12 111.168 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.32 -3.85 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.849 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mp -140.85 -46.59 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.139 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 mt -125.93 158.51 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.917 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.06 160.44 78.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 74.34 110.856 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 75.54 112.374 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.4 p -53.96 -46.26 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.844 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.1 -35.36 73.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.847 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.33 -52.86 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.122 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.69 -23.38 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.42 111.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.47 -23.38 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 63.32 111.089 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.32 -26.83 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 53.31 111.091 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.4 mt -69.77 -55.22 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -70.53 -11.91 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 75.15 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.79 -40.56 61.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.34 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -134.42 36.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 54.33 110.882 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.42 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.3 110.875 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.12 151.89 4.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 53.52 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.36 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 55.51 112.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t0 62.89 16.2 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.07 -37.53 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 55.43 110.889 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.95 170.27 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 73.2 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -157.73 148.89 16.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 74.34 110.853 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -11.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 75.05 112.334 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.92 25.28 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.889 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.94 18.36 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.872 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -118.75 -20.27 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -82.96 -8.85 59.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.4 -38.65 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.91 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.58 -25.91 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.093 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 t -94.69 -69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.852 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.87 31.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.474 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 53.5 mtp -63.33 -49.98 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 72.14 110.867 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.0 p -54.01 -33.39 57.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.34 110.891 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -63.8 -15.98 60.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.21 158.94 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 65.15 110.94 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 t -73.81 -179.72 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 74.24 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -16.6 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.848 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -89.65 -11.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.01 110.851 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -94.5 -35.7 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -73.13 -20.29 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.946 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -23.0 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 71.42 110.866 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.22 -46.64 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 52.13 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mp -55.8 -37.51 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.14 111.15 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -39.57 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.893 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -12.96 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.7 mm -99.04 -13.03 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.41 111.169 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.48 -25.75 17.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.93 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -69.16 117.46 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.18 10.62 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.45 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -1.65 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 52.54 20.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.906 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -71.07 -27.8 63.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 74.23 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.04 -16.55 7.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 71.1 112.452 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -133.0 169.28 17.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 75.01 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mt -116.98 83.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 72.15 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.31 174.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.23 110.898 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -62.86 -31.01 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 65.11 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.97 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -113.49 -29.45 7.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.6 -42.15 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 75.11 110.932 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.46 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 8.5 ptpt -51.4 -29.51 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.912 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -94.66 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 70.22 110.933 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -79.06 -25.34 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -84.74 -13.14 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 64.21 110.922 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -0.48 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.35 110.904 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -99.39 -30.99 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 73.14 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -104.88 -18.15 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.892 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.81 -24.81 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.52 110.892 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.9 p 48.14 61.89 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 63.14 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.22 -15.36 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 72.23 112.479 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.55 175.64 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 65.32 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.7 -170.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.882 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.9 m -106.68 -166.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 63.13 111.184 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 52.9 mt -103.92 134.67 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -76.35 -179.25 5.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.151 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 -11.76 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.8 t -104.64 -8.06 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.14 110.838 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -98.39 -58.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.858 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -48.96 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.12 111.172 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.09 -46.57 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.919 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.5 m -55.68 -53.0 61.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -54.32 -48.34 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.51 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' HA2' ' A' ' 95' ' ' GLY . 15.4 tp -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 73.11 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.11 2.69 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.8 -15.12 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 61.33 111.115 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -120.44 -55.9 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -63.41 -72.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 61.88 10.84 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.811 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.15 -14.29 15.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.854 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.93 73.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 70.12 112.488 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.5 -39.22 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 74.34 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.46 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 89.69 18.13 52.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.505 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 120.85 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.709 0.29 . . . . 74.1 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.9 mm -73.28 153.05 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.42 111.145 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -138.53 -148.66 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 61.13 112.502 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.59 1.27 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 72.45 111.061 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.96 -0.45 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -133.31 5.35 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.21 110.905 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -94.01 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.32 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.538 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.59 -37.43 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 75.25 110.858 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.29 -31.42 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 1.0 OUTLIER -82.12 -15.64 52.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.89 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 103' ' ' GLN . 13.8 t -84.22 -78.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -35.59 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 63.53 110.901 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.851 -179.799 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.959 0.409 . . . . 75.4 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.1 tp -85.65 -74.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 75.01 110.906 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.4 29.75 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.51 -1.66 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.15 110.843 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.23 -67.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.102 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.3 mt -96.94 159.09 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 65.14 110.934 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 160.86 77.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 65.22 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.84 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 71.51 112.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -53.7 -46.63 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.21 110.813 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.3 -35.01 73.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.885 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.74 -52.84 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.68 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 61.32 111.124 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.95 -25.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 60.4 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.35 -45.85 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 74.14 111.121 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.9 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -73.29 -31.64 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.95 -40.22 63.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.55 110.916 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.1 m -138.95 41.15 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 65.04 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.67 -37.62 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.931 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.21 153.3 3.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 64.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.93 52.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 75.4 112.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 54.91 26.44 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 75.02 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -111.27 -24.12 10.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.68 175.1 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 63.55 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -149.94 152.55 34.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 74.32 110.884 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -12.25 32.51 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 72.24 112.365 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 22.39 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.94 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -131.88 14.88 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 74.02 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.5 -9.44 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -90.48 -13.79 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.44 -31.92 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -94.87 -31.12 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 73.41 111.148 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -88.31 -69.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.52 110.834 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.62 30.06 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 71.51 112.458 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.3 mtp -63.07 -54.06 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 74.12 110.829 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -34.06 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.841 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -59.61 -20.71 57.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -162.24 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.91 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -120.88 160.43 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -25.37 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 73.51 110.867 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -27.94 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.865 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -86.99 -30.75 21.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.37 -20.57 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.932 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -16.34 60.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.04 110.91 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.55 -50.78 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.882 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mt -50.86 -34.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.083 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -37.74 68.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -11.87 54.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.845 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.3 mm -99.33 -13.37 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.173 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.83 -25.72 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -69.6 118.64 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.922 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.93 9.59 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.12 -0.61 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.887 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 52.86 20.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.921 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.77 -23.49 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.812 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.99 -11.52 17.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 72.42 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -133.58 164.4 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.3 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.66 89.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.35 111.144 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.02 174.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.12 -33.02 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.52 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -61.65 -16.65 50.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 62.45 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.6 -18.13 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.72 -29.71 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 65.45 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -19.81 62.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 75.4 110.848 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -95.14 21.01 8.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.05 110.946 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -55.52 -32.09 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 74.2 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.1 mt -80.69 -14.52 58.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 74.43 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 6.78 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 73.2 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -103.62 -30.76 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -100.04 -26.15 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -111.72 -34.22 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 74.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t 62.96 59.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 72.1 110.875 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.32 -20.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 74.31 112.45 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 174.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 73.55 111.127 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -174.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.872 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -113.06 151.68 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.3 111.096 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.04 134.43 55.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.893 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.2 t -77.31 -175.57 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 65.12 111.124 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.89 -9.65 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.6 t -110.13 -4.81 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.826 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -98.53 -60.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.863 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.77 -48.57 59.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.139 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -51.1 -46.68 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.1 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -59.69 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.25 111.127 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.43 -47.52 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.859 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD23 ' HA2' ' A' ' 95' ' ' GLY . 10.0 tp -64.6 -36.45 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 70.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.68 1.63 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.25 111.127 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.78 -16.64 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.122 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.87 -55.92 2.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.073 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 32.6 t70 -59.06 -71.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 60.27 9.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 -105.55 -18.65 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.34 16.79 73.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 72.11 112.482 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.35 -33.75 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 72.12 110.872 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.491 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 93.32 13.33 56.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 25.43 112.48 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.24 126.85 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 74.22 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.2 mm -71.83 145.06 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.51 111.103 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -122.93 157.07 17.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 72.45 112.494 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -4.51 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 74.44 111.144 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -104.58 -21.08 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -111.43 0.12 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -78.21 -67.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.528 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.75 -35.46 31.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.94 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.05 -30.34 61.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.876 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.79 -16.77 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.14 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.528 HG22 ' HA ' ' A' ' 103' ' ' GLN . 20.5 t -80.61 -77.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.158 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.53 -35.05 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.826 -179.792 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.896 0.379 . . . . 73.14 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt 69.42 -75.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.34 110.928 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.8 24.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.188 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.3 -12.08 15.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 65.41 110.896 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.08 -46.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.127 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -131.06 158.91 39.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 75.34 110.938 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.6 160.9 78.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.723 0.773 . . . . 75.24 110.797 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 75.41 112.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.38 -46.57 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.837 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.52 -35.37 74.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.851 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.5 mt -75.51 -50.7 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.2 111.127 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.46 -26.6 43.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.118 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.66 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.42 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.14 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -57.83 -50.45 73.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.929 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.28 -44.21 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.884 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 m -134.06 41.35 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 71.15 110.913 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.19 -31.48 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.01 110.945 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.18 150.6 2.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.542 0.687 . . . . 64.32 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.78 65.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 75.44 112.379 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.43 33.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.87 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.97 -35.35 3.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.805 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.8 174.99 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.9 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.85 155.39 31.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 73.21 110.816 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -12.7 33.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 75.42 112.35 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 35.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.54 110.882 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -129.04 20.82 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.905 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 0.23 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.879 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -106.63 -13.31 15.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -91.27 -29.47 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.57 -24.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.23 111.184 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -99.06 -68.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.896 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.26 33.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.478 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 50.2 mtp -63.24 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 75.44 110.853 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.8 p -53.95 -35.25 61.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.874 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.76 -15.56 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 73.53 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -84.34 -163.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -120.62 158.74 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.869 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -31.61 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.815 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -73.6 -35.52 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.864 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -73.57 -46.35 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 74.12 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -62.65 -18.29 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.05 110.91 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -26.66 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.925 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.35 -46.01 89.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.1 mt -53.17 -40.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 73.34 111.117 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -40.15 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -12.47 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.835 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.3 mm -97.74 -17.24 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.103 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -25.5 18.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.901 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.46 117.8 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.73 -2.5 21.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.34 0.25 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.846 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.28 22.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -69.08 -14.83 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.63 -20.35 18.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 73.44 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -132.45 171.79 13.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 74.04 110.916 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -119.37 100.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.135 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.56 167.64 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 73.21 110.883 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -53.17 -29.85 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.842 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -61.84 -22.62 65.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.869 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.21 -17.43 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.886 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.29 -29.5 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.925 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.5 ptpt -62.28 -28.6 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.862 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -91.61 23.54 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.05 110.965 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.77 -28.89 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.906 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -84.91 -13.73 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 6.01 30.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -104.7 -30.64 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -101.06 -18.83 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.822 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -116.71 -22.65 8.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p 48.36 60.87 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.34 110.834 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.51 -18.43 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 72.31 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 178.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 74.42 111.088 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.61 175.15 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 75.44 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.7 m -93.26 -168.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.42 111.16 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 78.8 mt -103.86 139.71 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 75.14 110.876 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -76.87 -177.42 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.1 111.18 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.11 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.31 111.097 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -108.47 -8.5 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 71.04 110.868 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.21 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 74.23 110.86 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -48.46 63.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.167 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.58 -49.67 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 m -52.36 -56.49 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 75.51 111.106 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.85 -47.43 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.91 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD23 ' HA2' ' A' ' 95' ' ' GLY . 29.3 tp -63.81 -34.3 77.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 75.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.02 3.28 49.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.53 111.132 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.76 -16.82 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 61.04 111.064 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.95 -56.06 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 63.54 111.081 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -63.16 -69.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.882 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 55.39 17.21 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 71.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.06 -11.94 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.87 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.8 78.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.438 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.23 -39.44 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 62.34 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.456 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 89.19 21.37 41.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 71.32 112.5 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.3 119.84 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 74.44 110.906 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 13.6 mm -68.78 152.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 73.21 111.148 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.28 -148.97 5.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.1 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.71 -1.58 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 63.23 111.114 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -113.89 -2.47 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.07 0.06 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.914 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -86.52 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 63.23 110.856 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.551 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.78 -36.73 38.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 75.12 110.904 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -31.97 63.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.898 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -81.5 -16.17 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.864 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.551 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.0 t -83.08 -78.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 65.32 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.03 -35.57 78.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.43 110.917 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.802 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 75.33 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.2 tp -84.29 -74.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.926 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.44 30.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.43 111.149 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -1.07 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.905 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -142.58 -67.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.25 111.167 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.11 158.7 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.922 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.51 160.51 77.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.748 . . . . 75.31 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 64.43 112.355 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -46.9 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.3 110.865 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.75 -34.27 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 75.04 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.2 -51.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 70.01 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.87 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 45.41 111.079 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.73 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.084 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.98 -34.24 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 73.45 111.102 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.76 -56.43 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.912 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -29.94 68.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.907 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -51.28 -47.97 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -135.84 42.96 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -57.8 -36.6 72.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.954 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.18 4.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 74.41 111.142 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.74 65.72 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 73.4 112.334 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.58 35.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -117.72 -1.44 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.51 110.833 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.93 169.87 12.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.21 110.875 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.72 162.3 52.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.683 0.754 . . . . 71.54 110.854 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -11.22 30.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 72.01 112.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 25.77 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.76 9.76 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.68 -29.54 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -69.18 -10.91 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.88 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -86.73 -32.26 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 75.33 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.96 -28.59 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.137 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.6 p -90.14 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 50.32 110.859 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.51 34.3 0.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 72.34 112.445 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mtp -64.72 -51.45 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 72.03 110.861 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.7 p -53.18 -33.28 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 74.43 110.881 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -60.57 -20.63 61.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 74.11 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -84.21 -165.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 74.05 110.849 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -121.06 179.29 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.32 52.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.11 110.88 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 m -98.87 -19.37 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.02 110.859 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -92.99 -46.93 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mt -59.34 -22.58 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.1 110.929 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.43 -27.16 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -61.16 -23.79 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 54.52 110.876 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mt -77.46 -31.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 72.3 111.132 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -25.29 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.903 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 0.24 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.858 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.0 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.947 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -67.42 117.28 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 61.03 110.874 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.1 -5.12 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -0.81 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 55.12 110.878 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.85 21.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -14.19 62.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.902 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.87 -20.59 17.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.2 112.479 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.01 170.19 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 75.35 110.853 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -118.34 94.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.11 165.09 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.27 -27.43 22.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 74.14 110.875 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.22 -24.27 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 73.25 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 -31.89 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.0 -26.85 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.942 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -64.46 -9.37 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 72.15 110.916 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -100.26 48.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.34 110.901 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 73.4 t80 -80.25 -19.8 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 75.03 110.885 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -99.03 -9.4 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.25 110.892 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 1.7 57.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.52 110.958 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 5.4 ptm180 -105.84 -30.21 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -98.44 -23.82 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.864 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -113.67 -34.01 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t 63.56 65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.73 -16.19 1.41 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 74.34 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -176.24 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 74.51 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -81.24 176.46 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.3 m -95.87 -168.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.33 111.141 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.5 mt -104.47 140.58 37.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.41 110.947 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.6 t -76.74 -179.41 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.42 111.123 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.5 -8.85 54.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.2 t -104.07 -12.05 16.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.82 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.02 -61.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.6 -48.72 63.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 73.02 111.123 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -49.86 -46.08 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 73.03 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.1 m -57.91 -57.69 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 72.33 111.155 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.32 -51.11 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.501 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 1.1 tp -63.54 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.99 -2.62 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.41 111.084 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.58 -14.55 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.22 111.086 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -116.93 -55.84 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.102 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 3.9 t70 -61.08 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 55.04 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 54.71 14.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 10.7 m-20 -105.61 -17.78 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.32 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.3 61.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 64.41 112.489 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -100.59 -17.85 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.45 110.895 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.441 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 75.28 19.99 79.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 62.04 112.496 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.17 133.89 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 74.04 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 35.2 mm -88.25 144.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.121 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.3 -172.45 15.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 71.42 112.511 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 4.81 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.34 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.7 2.68 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.892 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.58 -0.42 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.886 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -93.11 -59.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.868 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.552 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.41 110.911 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.0 -31.18 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 75.24 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.401 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 1.2 ppp? -81.08 -17.67 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 72.21 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.552 HG22 ' HA ' ' A' ' 103' ' ' GLN . 16.7 t -79.89 -77.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 75.54 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.21 110.949 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.851 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.906 0.384 . . . . 74.31 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.2 tp -52.19 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.37 29.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 75.24 111.13 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -122.26 -4.05 8.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.904 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.98 -40.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 74.02 111.098 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mt -125.4 159.25 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.917 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.59 160.4 79.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.675 0.75 . . . . 74.43 110.854 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 73.3 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -58.78 -21.13 55.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 71.4 110.889 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.64 -35.43 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 71.1 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.2 mt -80.31 -40.34 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.15 111.142 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 -21.22 63.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 54.14 111.105 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.12 -23.87 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.51 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.47 -32.15 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 75.21 111.054 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.4 mt -58.56 -60.11 4.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 72.55 110.92 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -67.33 -30.43 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 74.05 110.857 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.73 -39.49 52.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 64.52 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -141.54 40.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.42 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.23 -33.3 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.925 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.32 15.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.547 0.689 . . . . 54.14 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 150.74 68.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 74.21 112.321 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 42.83 34.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 74.4 110.878 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.51 10.94 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.845 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.64 176.26 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.894 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.18 160.2 40.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.4 110.885 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.61 36.33 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 74.13 112.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.7 32.69 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 71.22 110.935 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -133.36 13.29 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.09 -16.81 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -84.82 -12.08 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.874 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -82.95 -38.53 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.35 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -87.27 -31.32 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.25 111.109 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -88.55 -68.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.12 110.875 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.07 29.22 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.467 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.5 mtp -59.91 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 70.35 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 p -54.33 -34.79 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 71.32 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.91 -15.9 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.864 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.01 -161.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 72.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -120.62 159.05 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.806 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -45.75 52.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 71.01 110.845 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 t -61.27 -36.77 80.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.875 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -73.68 -36.52 65.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 mt -74.27 -13.46 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.931 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -73.41 -31.5 63.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 75.45 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.36 -49.18 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.864 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -52.67 -43.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 74.23 111.147 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -38.2 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 74.22 110.871 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.79 58.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.7 -13.28 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 64.5 111.122 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.44 -25.56 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.92 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -70.05 118.69 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.32 15.74 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.25 0.89 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 51.37 21.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 72.24 110.919 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -73.98 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.53 110.885 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.36 -11.58 21.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 74.43 112.452 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.23 166.85 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 72.13 110.875 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.87 89.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.07 175.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.893 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.35 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 74.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -61.39 -17.9 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 72.51 110.831 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.48 -18.06 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.872 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.91 -28.58 61.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.906 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.4 ptpt -60.65 -24.62 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.924 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -93.1 22.25 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -56.3 -24.98 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 63.14 110.881 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -87.75 -14.95 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.904 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.34 12.44 10.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.67 -31.16 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.35 110.865 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -98.21 -21.58 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.874 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -117.44 -31.8 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 62.21 110.887 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 63.42 55.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.89 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.24 -21.24 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.32 112.503 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.89 176.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 75.31 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -69.34 -174.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.3 110.876 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -109.58 -168.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 72.33 111.153 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 23.5 mt -104.25 131.83 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 75.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.8 t -76.69 -177.03 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 75.15 111.154 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.42 -11.78 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.098 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 t -105.91 -6.35 18.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.871 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -99.26 -59.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.919 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -48.46 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.24 111.162 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -50.08 -46.66 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.44 110.893 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -59.44 -58.46 8.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.162 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -52.23 -47.77 65.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 71.55 110.899 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.49 HD23 ' HA2' ' A' ' 95' ' ' GLY . 11.6 tp -64.16 -36.58 84.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 72.51 110.932 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.29 3.0 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 54.34 111.091 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.92 -16.28 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.145 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.17 -56.16 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.2 111.056 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 31.9 t70 -59.05 -71.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.864 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 60.44 10.06 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.874 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.481 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.6 m-20 -105.63 -19.76 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.71 16.66 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 74.23 112.537 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.34 -38.23 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 75.43 110.871 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.49 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 99.04 13.86 38.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 72.13 112.495 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 126.14 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 71.13 110.915 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 46.8 mm -74.29 143.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.31 111.138 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.26 174.91 15.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 74.2 112.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.37 4.62 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 65.21 111.098 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -115.0 -19.75 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.872 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -113.09 6.66 17.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.902 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -88.22 -65.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.549 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.85 -37.2 41.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 74.21 110.885 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -32.83 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.894 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.3 ppp? -79.69 -16.46 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 72.11 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 103' ' ' GLN . 17.5 t -81.55 -77.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.24 111.14 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.02 -35.37 79.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.882 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 51.31 110.896 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 73.13 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 20.9 tp -111.05 -73.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.951 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 47.6 28.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.22 111.158 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.37 -2.09 8.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.865 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -143.15 -47.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.24 111.103 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mt -125.83 159.42 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 45.35 110.928 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.47 160.42 79.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 73.34 110.916 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.02 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.238 . . . . 70.44 112.347 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -46.83 71.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.812 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -59.62 -35.09 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.92 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -75.6 -50.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 65.22 111.103 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -30.87 48.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 63.44 111.089 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.16 -23.93 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.121 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.16 -45.04 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 55.42 111.119 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.67 -50.45 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.879 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -71.52 -31.48 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -46.13 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.05 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.8 m -136.05 42.61 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.25 -38.46 71.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 71.54 110.909 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.95 148.55 13.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 51.21 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.08 69.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 73.43 112.374 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 60.06 18.51 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.33 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.95 -12.17 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.879 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.34 166.85 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 75.13 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.22 161.18 35.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.687 0.756 . . . . 71.22 110.852 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.3 30.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 72.53 112.352 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.28 32.65 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.891 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -127.93 20.16 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.905 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.49 7.06 8.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -115.55 -10.35 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -94.64 -25.46 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.93 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.47 -25.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 65.03 111.158 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 19.8 p -100.35 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.427 ' N ' ' OG ' ' A' ' 33' ' ' SER . . . 121.98 37.99 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 64.3 112.555 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.7 mtp -66.01 -48.68 70.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 73.1 110.88 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 p -54.15 -33.3 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.83 -13.5 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -93.13 154.85 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.44 110.884 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -74.99 160.54 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 70.25 110.838 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.58 -29.32 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.919 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -74.24 -33.5 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 61.22 110.842 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -70.07 -48.0 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.32 -20.91 64.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.906 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -70.7 -21.24 62.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.88 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.51 -46.57 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.889 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.7 mp -58.93 -36.85 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.22 111.131 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.33 -37.59 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -10.91 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 73.45 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.58 -14.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 72.3 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.16 -25.72 20.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.894 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.29 118.77 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.867 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.52 8.45 31.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -0.55 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.873 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 52.81 20.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.895 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -69.8 -25.56 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.72 10.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 73.44 112.473 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -133.28 166.87 21.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 72.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.67 95.98 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.189 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.66 176.38 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.9 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.59 -33.5 74.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.889 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.85 -17.99 53.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.85 -19.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.87 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.94 -29.11 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.921 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 7.3 ptpt -61.94 -24.48 67.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.934 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.13 21.61 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.948 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -56.45 -26.32 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 65.11 110.923 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.451 ' N ' HD21 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -88.29 -12.1 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 75.31 110.897 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.17 13.24 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.14 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 -31.1 7.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.848 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.73 -23.5 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -116.07 -29.34 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 62.43 110.839 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 t 63.45 57.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.13 110.865 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.52 -18.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.24 112.461 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 179.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 61.23 111.055 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.04 175.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.24 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 m -98.58 -167.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 75.3 111.125 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 46.0 mt -103.76 136.95 42.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -76.76 -177.94 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.158 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -9.58 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.9 t -108.3 -7.6 15.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.903 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -95.67 -60.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 75.15 110.903 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -48.73 67.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 73.05 111.168 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -49.69 -47.74 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.8 m -55.53 -56.86 15.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 71.44 111.117 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -52.21 -47.03 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.44 110.83 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.4 tp -63.87 -34.7 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.911 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.45 5.99 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 75.44 111.087 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.93 -16.04 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -118.99 -55.96 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 72.1 111.126 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -69.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.915 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 56.89 15.65 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -115.88 -11.18 11.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 75.11 110.899 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.37 45.13 49.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.523 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.49 -16.83 14.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 72.03 110.844 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 68.03 10.79 59.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 72.52 112.492 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 123.57 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 74.34 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 8.3 mm -77.0 150.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.127 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.76 -156.45 7.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 61.04 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.69 37.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.722 0.296 . . . . 64.24 111.114 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -116.1 -2.93 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.896 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -131.67 6.95 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.906 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -95.84 -67.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 72.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.54 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.1 -38.25 50.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.905 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.1 -32.81 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.84 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -79.56 -15.88 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.878 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 103' ' ' GLN . 11.9 t -84.6 -78.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.13 111.146 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.48 -35.4 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 74.11 110.858 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.882 0.372 . . . . 75.24 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.75 -62.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 74.4 110.893 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.95 23.05 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.04 111.12 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -124.25 -4.42 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 75.52 110.837 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.61 -64.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.067 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 mt -97.01 157.69 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.936 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.16 161.23 73.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 62.22 110.882 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 71.3 112.329 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.836 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.29 -34.91 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 71.14 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.4 mt -76.99 -52.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 71.24 111.141 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.84 -22.76 49.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.14 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.79 -28.82 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.34 111.11 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.67 -27.11 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.095 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -69.7 -55.38 10.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.925 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -24.99 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.835 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.67 -52.12 57.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.866 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -134.33 39.69 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -51.94 -36.94 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.909 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.49 149.78 7.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 74.4 111.097 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.43 53.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 74.55 112.348 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.84 28.48 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 75.44 110.86 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.55 8.09 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.893 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -132.82 -174.94 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.887 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 161.16 29.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.43 110.876 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.54 36.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.244 . . . . 75.44 112.362 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -116.13 30.91 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -134.94 15.63 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.858 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.96 -18.17 12.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 73.12 110.89 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -76.03 -16.54 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.835 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -80.7 -37.07 31.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -91.15 -31.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 74.05 111.157 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 t -87.8 -70.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 62.42 110.841 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.53 28.41 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 63.33 112.513 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 41.9 mtp -63.61 -49.14 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 75.52 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.2 p -53.81 -35.7 61.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.42 110.828 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -63.98 -15.29 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.938 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.78 156.18 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.893 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 t -74.25 163.7 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -16.48 57.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.859 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -89.54 -23.58 21.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 71.1 110.861 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -80.94 -35.51 32.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.64 -19.45 61.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.924 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -71.4 -28.39 63.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.903 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.05 -47.72 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 75.33 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.66 -28.21 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 62.13 111.129 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.68 1.09 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.846 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.8 mm -112.11 -7.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.41 111.133 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mp -96.73 -26.65 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.34 110.877 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.65 117.27 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 64.33 110.895 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.25 12.27 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.7 2.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.822 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 50.71 21.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.912 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -71.93 -16.79 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.59 -11.32 42.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.756 . . . . 64.11 112.522 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.34 164.41 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 70.11 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.1 mt -118.63 95.27 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 51.4 111.162 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.27 175.06 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 73.33 110.9 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -60.48 -33.95 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.76 -18.37 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.872 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -116.38 -15.82 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.867 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.43 -29.86 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.922 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 66' ' ' PHE . 0.4 OUTLIER -62.21 -28.38 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 74.12 110.899 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -76.57 22.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.942 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.475 ' H ' ' C ' ' A' ' 64' ' ' LYS . 7.2 t80 -53.79 -41.2 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 75.04 110.906 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -78.71 -11.45 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.14 110.915 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.62 4.93 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -102.18 -42.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.21 110.843 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -90.87 -26.91 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.871 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.34 -29.77 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.894 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t 58.18 62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 62.32 110.838 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.72 -12.34 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.474 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.79 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 72.42 111.111 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -75.87 176.16 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 1.7 m -104.41 151.65 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 72.13 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 79.1 mt -55.77 140.22 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -77.31 -175.06 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 73.4 111.153 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.95 -4.87 37.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.51 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.0 t -113.57 -6.61 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.872 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -95.28 -63.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.877 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -48.33 -47.87 36.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 71.45 111.126 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -49.48 -46.66 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.9 m -55.62 -57.89 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.15 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -52.98 -44.36 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 75.35 110.945 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 HD23 ' HA2' ' A' ' 95' ' ' GLY . 30.2 tp -63.25 -26.7 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 74.22 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.4 3.21 55.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.02 111.095 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.65 -17.15 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.12 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.6 -53.85 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 75.35 111.1 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -67.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.929 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 54.56 15.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -125.05 -18.14 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 63.21 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.48 44.19 22.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 70.51 112.502 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -101.14 -28.56 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.837 0.351 . . . . 75.51 110.855 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 88.06 10.61 68.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.3 112.482 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.47 128.67 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 73.5 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 47.7 mm -83.17 146.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 64.23 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.55 175.58 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 75.25 112.468 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.05 2.26 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 75.11 111.092 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -108.76 -9.28 15.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.01 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.78 9.88 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 73.24 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -91.84 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 72.32 110.851 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.563 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.86 -38.41 55.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.21 110.944 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.9 -31.96 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.888 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -82.46 -11.96 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.9 t -88.06 -76.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 75.44 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.41 -35.09 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 64.53 110.863 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.922 0.392 . . . . 73.42 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.36 -76.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 73.01 110.888 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 49.47 26.49 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 75.2 111.105 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -120.79 -4.54 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.896 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -141.27 -42.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 71.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mt -129.17 159.43 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.88 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 160.83 79.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.714 0.768 . . . . 74.15 110.803 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 64.2 112.345 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 p -53.51 -46.29 70.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.55 110.871 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.31 -35.08 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 73.32 110.835 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.23 -52.49 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 73.12 111.146 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -23.19 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 54.32 111.062 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 -23.87 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.01 111.06 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.36 -27.36 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.21 111.08 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.7 mt -69.51 -51.69 33.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 71.54 110.88 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -70.48 -25.91 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.1 -47.76 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.829 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.18 43.61 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.911 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.11 -32.19 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 73.3 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.43 3.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 71.21 111.111 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.54 48.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 71.53 112.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 t0 57.57 21.97 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 75.54 110.893 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.11 -36.86 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.885 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.48 166.62 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 74.42 110.86 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 151.23 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 73.42 110.886 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -13.7 35.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 73.31 112.346 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 21.72 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.908 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.38 17.14 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.11 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -118.27 -16.55 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.877 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -86.19 -9.64 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.868 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.25 -33.27 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -92.76 -26.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 74.32 111.154 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -96.53 -69.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.843 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.85 31.8 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.452 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 54.3 mtp -62.41 -51.17 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 75.2 110.862 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 80.4 p -54.26 -33.74 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 53.31 110.848 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.94 -14.6 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 74.52 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.33 -163.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -120.69 160.05 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -48.23 56.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.853 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -58.68 -35.16 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.31 -48.66 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.924 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mt -62.6 -18.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.923 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -70.2 -25.6 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 75.41 110.918 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -61.05 -46.23 91.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.63 -39.19 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 73.21 111.142 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -34.76 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.15 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 72.5 110.893 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mm -103.1 -18.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 71.35 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.83 -25.68 20.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.916 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.18 118.23 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.875 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -3.32 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.92 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -0.52 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.869 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.69 21.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.94 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -16.06 63.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.846 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.28 -19.91 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.41 112.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -132.18 169.79 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 71.42 110.854 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 mt -118.39 104.03 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.31 111.125 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.53 162.09 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.5 -30.19 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.26 -26.2 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 65.44 110.895 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -111.06 -14.74 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -29.79 61.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -61.68 -31.58 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.94 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.15 16.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -54.97 -32.38 61.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 75.12 110.935 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.437 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.9 mt -81.78 -9.27 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 75.24 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.8 5.33 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -104.82 -30.82 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.854 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -103.97 -15.58 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.889 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -117.31 -28.43 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 73.31 110.905 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m 51.65 63.97 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.861 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.24 -16.0 1.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 54.35 112.448 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.14 -179.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 75.4 111.061 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm85 -80.95 179.71 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.36 150.59 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 74.14 111.134 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 72.9 mt -55.6 135.79 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.3 t -76.64 -178.51 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.34 111.115 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -10.83 55.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.101 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.1 t -108.74 -4.57 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 75.11 110.869 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -99.95 -59.46 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 73.41 111.115 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -54.65 -46.68 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 73.25 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.1 m -58.06 -54.56 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.4 111.136 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.74 -47.11 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.903 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 21.8 tp -64.07 -38.02 89.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.911 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.34 -1.64 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.087 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.96 -18.21 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 63.3 111.099 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -117.89 -56.01 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 70.43 111.085 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 15.8 t70 -60.33 -71.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 44.13 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 46.54 24.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 94' ' ' ASP . 22.4 p30 -121.78 -11.99 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.901 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.83 54.29 3.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 75.23 112.512 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' CG ' ' OD1' ' A' ' 92' ' ' ASP . 66.4 m-20 -125.43 -15.49 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 74.12 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 63.75 12.94 49.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 72.31 112.484 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 136.36 26.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 70.12 110.889 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.4 147.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.12 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.83 -178.78 15.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.23 112.477 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.86 7.46 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 70.23 111.088 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -119.66 -5.82 10.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -129.21 3.01 5.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -86.51 -61.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.531 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.37 -37.54 48.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.903 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -30.35 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 72.03 110.893 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -83.41 -16.51 45.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.944 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 103' ' ' GLN . 13.9 t -83.14 -78.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.13 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -63.34 -35.47 80.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 75.12 110.881 -179.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.887 0.375 . . . . 74.41 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 19.5 tp -97.28 -73.23 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.873 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.05 28.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.118 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -121.22 -4.11 9.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.882 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.96 -47.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 75.42 111.151 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -125.81 159.05 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.902 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.5 160.89 78.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.704 0.764 . . . . 73.25 110.845 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 74.24 112.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 p -53.85 -46.33 71.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.898 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -59.47 -35.11 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.855 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -75.95 -52.96 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.146 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.54 -22.68 34.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 64.25 111.136 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.67 35.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 72.34 111.093 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.24 -27.21 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.52 111.113 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.1 mt -69.57 -51.99 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 75.34 110.884 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -72.53 -26.11 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.887 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.03 -49.37 71.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 75.01 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.0 m -131.36 38.01 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.72 -36.52 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.929 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.85 153.3 4.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 63.24 111.135 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 149.82 67.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 72.22 112.348 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 43.01 34.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 m -113.29 -25.24 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.853 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.56 171.17 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 75.15 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 162.21 59.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 73.35 110.888 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.71 29.19 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 74.4 112.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.7 2.06 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.911 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -102.9 7.34 39.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.891 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -106.9 -28.45 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.847 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.76 -8.06 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.883 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -88.36 -39.97 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mp -86.7 -24.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.106 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.6 p -96.89 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.842 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.01 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtp -72.98 -51.19 19.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.12 110.883 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.9 p -54.02 -33.24 56.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 53.43 110.885 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.31 -14.86 61.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 73.33 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -87.31 -164.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.864 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -120.66 155.83 33.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -31.12 5.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.866 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -70.9 -43.77 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.929 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -71.78 -33.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.14 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -72.39 -17.07 61.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -72.22 -32.69 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.902 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -55.04 -48.0 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.47 -43.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.31 111.12 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -38.33 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -14.01 60.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 73.41 110.895 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.0 mm -99.6 -14.56 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.13 111.127 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.87 -25.07 19.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.21 110.923 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -70.76 99.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 7.77 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.843 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.46 -12.74 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.85 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 59.85 16.16 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -28.45 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.879 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.6 -19.03 5.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 70.12 112.529 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.23 171.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 75.43 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -115.43 77.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.52 111.161 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.94 168.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.847 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.55 -28.95 70.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.04 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.41 -22.52 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.6 -29.84 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.886 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.19 -28.99 67.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 73.32 110.946 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -60.26 -25.84 65.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.897 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -95.66 48.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.921 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -83.18 -24.35 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 74.43 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.2 mt -88.29 -3.5 58.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 75.33 110.928 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 0.38 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.933 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -101.03 -30.86 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.862 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -99.23 -25.8 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.894 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -107.31 -34.76 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t 62.32 60.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.873 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.84 -16.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 74.31 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -176.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 64.51 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -83.85 -179.17 7.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.41 110.85 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.4 m -96.26 -167.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 73.25 111.156 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.0 mt -104.46 157.3 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.934 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -104.88 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.51 111.179 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -13.19 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 72.35 111.124 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -101.49 -2.4 30.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 70.02 110.856 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -113.58 -63.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 75.43 110.857 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -48.22 63.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.106 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -56.79 -45.92 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 36.7 m -60.21 -56.09 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 73.22 111.118 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.42 -48.63 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.859 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 HD23 ' HA2' ' A' ' 95' ' ' GLY . 2.2 tp -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 64.23 110.941 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.61 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.35 111.098 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -111.97 -15.93 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.24 111.138 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.09 -55.55 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.106 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 8.4 t70 -59.96 -70.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.855 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 55.89 13.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.835 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 5.7 m-20 -104.67 -18.91 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 75.42 110.921 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.97 24.2 55.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 74.43 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.39 -15.69 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 71.02 110.904 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.476 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 78.14 -5.25 55.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 63.24 112.483 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -117.17 133.68 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 75.11 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 21.2 mm -87.29 144.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 75.44 111.095 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.7 156.85 15.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.464 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.36 -7.59 32.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 64.15 111.085 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 -0.77 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.35 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.43 -3.51 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.44 -57.84 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 74.21 110.861 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.538 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.84 -36.52 48.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.875 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -56.09 -28.13 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -86.52 -17.92 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.2 t -80.79 -78.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 40.44 111.117 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.17 -35.52 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.823 -179.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.874 0.369 . . . . 73.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -132.0 -46.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.936 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.31 27.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.34 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.36 -11.84 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.21 110.848 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.06 -61.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 73.14 111.168 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.9 mt -97.33 155.77 16.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.919 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.44 159.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 61.11 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -49.56 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 71.45 112.356 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -57.2 -31.55 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.831 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -73.12 -35.2 66.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 73.51 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.48 -51.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.45 111.089 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.76 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 73.15 111.12 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.66 -26.02 45.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 63.1 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.71 -44.49 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.14 111.087 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.5 mt -59.28 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 65.1 110.926 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -71.51 -31.72 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.827 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.14 -44.16 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.937 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 m -137.25 42.69 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.922 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.52 -35.9 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.906 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 145.53 17.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.693 . . . . 64.42 111.152 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.88 68.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.274 . . . . 74.44 112.345 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.6 t0 61.66 17.24 8.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 55.5 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -126.83 1.5 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.17 165.93 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.39 147.73 7.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.66 0.743 . . . . 73.53 110.845 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -32.84 17.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 72.51 112.351 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 24.62 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 63.54 110.937 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -135.16 18.59 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.895 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.79 -3.25 11.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.02 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -98.86 -12.29 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.85 -28.8 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.54 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -99.42 -30.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.32 111.111 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 t -89.09 -68.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.881 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.65 39.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 72.43 112.46 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.7 mtp -72.8 -52.53 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 74.24 110.886 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.2 p -54.03 -33.76 58.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.864 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.04 -16.87 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 75.25 110.898 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -86.97 -164.53 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.873 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -121.25 159.48 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 71.31 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.05 -28.87 41.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 51.13 110.811 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.2 m -77.32 -28.61 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 70.42 110.844 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -85.56 -34.51 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.37 -40.89 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.936 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -19.57 40.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 75.24 110.897 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.66 -45.72 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.925 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.4 mt -49.78 -34.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 73.14 111.108 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -40.49 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -14.41 51.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.895 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 34.7 mm -99.28 -11.05 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.02 111.108 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.66 -26.93 15.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.894 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.47 119.57 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 18.49 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.53 6.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 74.45 110.913 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 47.95 23.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.2 p -71.12 -14.67 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.87 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.38 -10.36 56.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 63.33 112.447 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -142.67 167.66 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.01 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 mt -118.05 102.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.129 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.57 164.44 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.922 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.34 -30.16 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.74 -23.31 64.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -112.94 -17.86 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.07 -31.22 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.916 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.8 ptpt -63.28 -27.11 69.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.906 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -92.93 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.93 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.4 mt -84.51 -8.31 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.915 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.2 -1.05 54.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -104.22 -29.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -100.04 -15.0 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.903 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -123.18 -34.92 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 74.24 110.881 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m 61.47 69.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 145.17 -12.91 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 75.11 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.79 -177.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 71.43 111.083 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.73 -178.46 6.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 75.53 110.866 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.0 m -98.34 -169.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 75.1 111.13 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 35.7 mt -104.58 133.65 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 73.41 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.9 t -77.18 -178.12 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 72.44 111.164 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.71 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.41 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 t -102.78 -9.1 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.827 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -99.43 -61.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.922 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -49.35 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.157 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -51.49 -45.96 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.907 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.7 m -55.69 -54.11 48.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 62.51 111.134 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.04 -50.68 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 HD23 ' HA2' ' A' ' 95' ' ' GLY . 16.5 tp -63.8 -35.78 81.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 75.23 110.928 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.9 4.65 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.19 -15.7 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 74.43 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.412 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -120.98 -55.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.22 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -63.48 -70.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.912 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 56.68 15.24 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.85 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.4 -10.57 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.1 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 60.04 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.05 -39.22 23.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 70.24 110.871 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.468 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 88.82 14.89 60.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 51.24 112.445 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 120.24 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 74.01 110.844 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.5 mm -70.75 149.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 74.03 111.12 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.85 -157.22 8.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 73.33 112.504 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.52 5.24 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 74.32 111.091 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.77 -8.62 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 75.44 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.0 1.81 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -87.71 -68.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.4 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.556 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.94 -37.12 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 73.35 110.904 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.14 -31.61 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 62.11 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.412 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -82.19 -15.62 52.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.902 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.5 t -83.27 -78.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 74.21 111.141 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.11 -35.11 76.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 74.55 110.855 -179.776 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.3 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 74.45 110.824 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -54.12 -45.22 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.9 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 57.05 18.35 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.117 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.49 -10.46 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.846 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.7 -38.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 74.23 111.147 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -136.55 158.35 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 73.45 110.933 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.21 159.24 80.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 71.22 110.895 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -30.5 22.09 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 74.33 112.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -70.35 -47.18 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.877 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.14 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.858 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.7 mt -80.41 -51.99 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.109 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.62 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.066 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.17 59.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.91 -45.8 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.084 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.0 mt -56.82 -49.69 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.21 110.883 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -31.85 67.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.54 110.842 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.28 -40.89 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.59 43.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.35 -35.15 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.907 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.86 152.69 5.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 61.5 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.84 49.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 73.31 112.351 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.4 t0 52.06 28.47 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -115.74 1.15 13.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.88 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -124.64 -177.12 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.55 161.21 32.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.698 0.761 . . . . 61.15 110.82 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.88 -21.76 32.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 75.22 112.308 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 33.22 5.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.3 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.48 17.54 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 70.12 110.886 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.13 -9.37 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.909 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.85 -16.84 29.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.33 -38.16 27.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.03 -30.87 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.121 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 t -90.94 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 70.53 110.903 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.18 41.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 72.35 112.485 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.9 mtp -73.51 -50.54 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 71.11 110.897 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -33.67 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.53 -19.37 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.43 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -85.46 -160.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.891 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -120.32 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.877 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -6.0 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.86 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -99.93 -15.12 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 61.52 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -97.57 -36.2 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.932 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.76 -21.55 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.909 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -70.35 -26.1 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.898 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.61 -39.32 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.44 111.117 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -38.43 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -14.08 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 75.3 110.83 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.7 mm -98.97 -14.51 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.098 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.16 -25.58 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.963 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -67.36 93.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 63.53 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.87 6.25 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 72.52 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.11 -13.53 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.51 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 60.0 16.29 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.897 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -37.89 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.881 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.21 -12.43 3.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 73.04 112.454 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.27 168.72 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 75.13 110.878 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.5 mt -115.76 77.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.161 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 175.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -65.09 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 74.04 110.859 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.01 -21.34 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 63.42 110.818 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.6 -29.32 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 74.03 110.902 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.9 ptpt -48.71 -28.98 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.42 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -93.4 44.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 74.54 110.939 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.411 ' CD2' HD21 ' A' ' 67' ' ' LEU . 35.6 t80 -79.34 -30.92 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 64.05 110.864 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 67' ' ' LEU . 4.3 mt -82.83 -4.07 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.3 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 2.03 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.5 -31.14 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.897 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -97.28 -22.52 16.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.891 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.17 -34.91 5.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 64.38 60.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 61.54 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.72 -15.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 75.25 112.477 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.88 -178.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.12 111.076 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -77.71 -179.0 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.912 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.7 m -100.48 -166.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.25 111.169 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 44.2 mt -104.11 137.19 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.896 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.6 t -76.4 -178.7 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 64.33 111.153 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.36 -9.15 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.145 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 t -105.31 -8.53 18.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 71.32 110.814 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -99.14 -60.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.854 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -49.02 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 74.44 111.128 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 30.6 m -57.02 -56.9 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 75.53 111.129 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -51.03 -45.83 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 HD23 ' HA2' ' A' ' 95' ' ' GLY . 5.9 tp -66.78 -36.2 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.02 110.939 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.29 3.3 15.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 63.42 111.097 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.59 -15.71 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.12 111.146 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HA ' ' HB3' ' A' ' 105' ' ' MET . . . -117.88 -54.93 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.41 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 86' ' ' LEU . 29.8 t70 -58.65 -71.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.897 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 59.76 9.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.04 110.845 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.474 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.5 m-20 -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.52 110.896 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.8 15.65 74.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 71.34 112.49 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -83.58 -33.04 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 73.42 110.853 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.503 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 96.87 -8.66 65.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 74.52 112.515 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 132.63 55.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 65.22 110.856 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 22.4 mm -79.42 143.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.138 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.51 157.37 15.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 61.11 112.516 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.13 -4.53 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 62.33 111.12 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -101.84 -20.29 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.926 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -113.78 -3.94 13.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.894 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -72.35 -68.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.906 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.527 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.81 -34.58 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.894 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.97 -28.57 57.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.908 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.404 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.7 ppp? -83.94 -18.02 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 103' ' ' GLN . 16.6 t -79.71 -77.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 74.11 111.143 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.84 -35.15 79.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.88 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.887 -179.838 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 73.43 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 72.44 110.956 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.36 22.41 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 74.14 111.125 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.25 -4.41 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 63.13 110.83 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.5 -39.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 65.25 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.9 mt -130.8 158.53 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.927 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.26 160.44 77.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 73.12 110.853 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.723 2.282 . . . . 71.04 112.335 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 p -53.15 -46.53 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 75.12 110.839 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.81 -34.81 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.922 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.53 -51.02 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.149 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -24.54 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 73.02 111.098 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.52 -22.61 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 71.05 111.101 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.88 -45.39 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 71.11 111.117 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.83 -50.85 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.919 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -71.4 -31.87 67.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.846 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.62 -39.91 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 m -139.71 45.46 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.848 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.48 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.58 147.03 8.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 71.23 111.058 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 141.21 44.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 72.4 112.372 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 60.45 18.45 8.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 64.3 110.853 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.15 18.11 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.868 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.89 162.91 27.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.14 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.05 160.7 61.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 70.11 110.85 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.15 37.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 75.03 112.372 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 12.55 24.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.875 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -105.88 15.79 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 73.11 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.37 -3.3 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.871 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -102.93 -11.08 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.61 -30.07 15.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.908 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mp -98.47 -26.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.02 111.123 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.6 t -96.22 -69.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.873 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.04 30.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 72.43 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 60.4 mtp -60.41 -53.53 56.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 75.14 110.878 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.6 m -53.98 -33.56 57.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 70.43 110.875 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -63.99 -15.94 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 75.03 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -85.84 -161.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.837 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -30.03 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.23 110.857 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -74.51 -36.98 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.876 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -75.62 -31.1 59.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 73.24 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.89 -14.66 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 62.04 110.919 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -69.88 -42.45 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.85 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -49.85 -47.12 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 73.53 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.8 mt -51.03 -45.85 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 72.13 111.117 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -36.85 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 73.13 110.904 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.868 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.9 mm -99.45 -12.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 72.0 111.107 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.13 -24.86 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.64 94.92 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 72.54 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 7.21 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 60.31 110.876 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -122.86 -13.78 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.86 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 60.97 15.6 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.919 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -37.08 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.845 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.52 -14.31 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 74.55 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -132.86 170.8 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 74.31 110.904 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.5 83.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 71.15 111.106 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 158.31 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.52 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -53.59 -26.54 22.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.85 -25.95 67.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 61.31 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -109.31 -27.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.928 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -27.96 66.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.42 110.966 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -63.06 -13.05 31.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 65.35 110.89 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.23 40.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.912 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -81.47 -19.98 41.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.2 110.842 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.1 mt -93.25 -5.55 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 74.02 110.928 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 3.18 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 73.13 110.895 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -102.52 -35.56 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.912 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -95.75 -25.44 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.908 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -107.96 -35.99 6.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t 61.03 63.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.33 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.01 -15.69 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 51.31 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 179.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 74.24 111.084 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -79.52 179.43 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.91 150.85 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.173 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 45.0 mt -56.33 132.3 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.35 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -76.85 -178.23 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.52 111.14 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.84 -10.52 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.15 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.1 t -106.57 -10.22 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.34 110.804 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -94.76 -61.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -47.89 62.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 74.54 111.126 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -49.34 -45.93 46.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.03 110.957 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.7 m -61.72 -60.78 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.03 111.121 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -50.99 -37.88 47.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.889 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD23 ' HA2' ' A' ' 95' ' ' GLY . 60.8 tp -73.95 -35.58 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.897 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.72 21.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 61.1 111.071 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.94 -16.31 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 62.34 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.66 -55.54 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.02 111.115 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.449 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 28.3 t70 -58.98 -73.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 63.53 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 59.58 10.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.875 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.1 m-20 -106.11 -15.29 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.834 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.421 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.73 43.14 29.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 63.4 112.48 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -114.7 -31.73 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 73.3 110.85 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.47 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 97.17 -8.57 64.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 71.14 112.506 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.31 134.68 55.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 75.01 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.5 mm -86.91 143.38 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.24 111.156 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.91 174.33 15.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 73.43 112.521 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.4 2.75 30.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 71.32 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -112.0 -10.5 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 75.44 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -123.58 4.41 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.89 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -86.97 -67.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.31 110.869 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.521 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.52 -36.24 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.878 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -32.58 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.89 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -79.5 -16.62 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 73.33 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 103' ' ' GLN . 17.8 t -81.99 -78.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.24 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -35.68 81.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.897 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.35 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 74.54 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -57.39 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 74.31 110.912 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.01 23.12 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.128 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -122.42 -6.69 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 73.35 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.94 -42.93 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.33 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.44 157.85 37.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.963 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.56 161.4 74.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 60.13 110.846 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.28 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 64.22 112.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -53.15 -46.38 68.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -58.02 -35.31 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 75.02 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.2 mt -77.16 -51.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 75.23 111.155 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.0 70.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.094 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.96 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.54 111.077 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.31 -44.57 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 55.43 111.115 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.3 mt -56.44 -46.69 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.33 110.905 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.76 -31.74 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -52.32 -39.57 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 74.02 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.5 m -138.69 39.43 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.897 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.81 -37.36 59.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.916 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -53.73 155.32 5.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.702 . . . . 63.21 111.087 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.69 150.46 68.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 74.22 112.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.94 33.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 65.51 110.868 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 p -112.13 -13.82 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 65.23 110.826 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -114.47 -174.98 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 72.33 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.84 161.72 28.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 75.32 110.898 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -15.27 36.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 73.44 112.32 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.14 24.0 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.875 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -132.16 9.72 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.912 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 -32.08 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.886 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -69.25 -11.27 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.01 110.905 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -81.48 -40.31 23.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.897 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -87.38 -30.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.21 111.116 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.5 p -85.44 -70.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 123.56 39.22 0.51 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 71.25 112.509 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.3 mtp -74.96 -49.22 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 73.02 110.863 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.9 p -53.32 -32.87 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 62.41 110.857 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.66 -15.78 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.63 164.2 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -73.9 -177.8 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 70.55 110.847 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.17 1.04 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.14 110.818 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 m -107.0 -30.95 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -73.31 -25.15 60.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 mt -80.64 -19.35 45.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.923 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -71.64 -32.38 67.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.858 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.08 -48.5 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.852 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.19 -36.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 74.4 111.159 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.67 -39.76 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.903 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.33 52.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.0 mm -96.28 -13.69 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 -25.02 22.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.901 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -64.29 94.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 7.85 26.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.866 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.49 -12.24 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 51.43 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 59.21 16.64 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -34.87 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.86 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.19 -15.1 4.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 55.03 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -132.11 171.1 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 74.21 110.874 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 33.1 mt -115.87 79.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 74.12 111.107 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.13 170.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.878 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.9 -30.99 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -23.62 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 70.41 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.24 -27.71 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 73.01 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.15 -30.7 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.916 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.92 -30.93 70.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 73.31 110.865 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.8 16.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.906 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.46 -30.81 61.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 67' ' ' LEU . 2.2 mt -82.95 -9.64 59.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 75.01 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.13 8.59 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -106.14 -31.1 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.857 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -96.16 -27.85 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -109.87 -32.99 6.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.884 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 64.15 59.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.858 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.32 -18.57 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 65.42 112.513 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.11 -179.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 75.02 111.119 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -78.27 175.99 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 75.35 110.889 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.1 152.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.43 111.1 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 81.4 mt -55.63 138.88 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.11 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.8 t -77.16 -177.12 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.143 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.63 -7.97 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 65.33 111.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.9 t -111.75 -6.02 14.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.832 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -95.75 -61.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.87 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -47.73 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.23 111.114 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -49.95 -54.57 18.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -51.55 -55.67 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 73.32 111.184 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -51.71 -44.22 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.31 110.883 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD12 ' CB ' ' A' ' 90' ' ' ASP . 10.7 tp -68.04 -25.01 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.91 0.08 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.3 111.132 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 -18.12 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.54 111.089 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.85 -12.22 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 65.22 111.128 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.523 ' CB ' HD12 ' A' ' 86' ' ' LEU . 25.9 t70 -133.18 24.37 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 53.23 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.95 -14.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.84 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 90' ' ' ASP . 10.1 p30 -61.69 -27.67 68.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.41 43.32 4.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 73.52 112.48 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -104.32 -30.54 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 75.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.22 15.83 58.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 71.31 112.479 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.46 135.11 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 75.51 110.935 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.9 mm -80.48 147.46 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.4 111.133 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.31 175.47 17.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 73.32 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.34 7.01 17.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 75.13 111.126 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -117.59 -12.69 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 74.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.43 -2.57 9.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.896 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -77.02 -65.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.83 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.518 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.85 -36.13 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 75.24 110.923 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.11 -27.45 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 72.32 110.909 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -87.5 -16.76 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.857 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 103' ' ' GLN . 16.7 t -81.76 -77.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.5 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -35.48 80.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 73.21 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 65.24 110.857 -179.812 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.868 0.366 . . . . 74.21 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.02 -57.65 2.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 72.54 110.906 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.41 23.61 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.14 111.112 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.25 -5.6 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.855 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.09 -63.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.154 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.4 mt -97.95 156.78 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.921 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.69 159.94 73.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.708 0.766 . . . . 74.02 110.807 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 74.02 112.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -53.91 -48.5 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.889 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.47 -34.84 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 63.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.4 mt -74.65 -52.82 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.12 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.03 -23.2 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 72.14 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.96 -24.64 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.41 111.079 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.73 -24.14 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.106 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -69.73 -56.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -23.57 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.38 -51.68 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 63.51 110.907 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 m -133.24 43.01 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.911 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.07 -37.9 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.946 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.27 150.44 8.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 64.42 111.056 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.57 60.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 72.14 112.331 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 61.4 17.38 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 -15.41 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.864 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -92.69 166.72 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.43 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.41 156.65 31.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 72.05 110.854 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -16.25 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.22 . . . . 73.42 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 30.85 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.935 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -135.33 17.63 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -117.15 -22.6 8.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -78.18 -14.97 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.891 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -85.06 -34.65 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.11 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -92.83 -29.57 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 73.13 111.146 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.28 -67.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.87 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.87 45.79 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 63.32 112.491 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 32.9 mtp -73.64 -49.84 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 61.33 110.893 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.7 p -53.25 -35.24 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.852 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -62.36 -19.23 63.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 74.11 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -90.98 150.4 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.887 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -73.91 160.83 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.03 -25.77 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -74.79 -36.81 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 54.33 110.873 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.19 -33.35 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -76.24 -14.08 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.957 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -42.53 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.865 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -48.42 -45.63 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 72.31 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mt -48.95 -45.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.087 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -55.29 -39.15 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.866 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -9.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.877 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.0 mm -101.79 -19.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.145 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.41 -26.28 21.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 62.42 110.946 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.19 121.6 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -130.0 3.15 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.875 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 51.36 22.2 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.933 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -60.74 -18.16 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.838 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.29 -16.27 12.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 73.33 112.519 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -144.23 144.88 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.352 . . . . 75.4 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mt -91.76 103.67 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.128 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.44 164.23 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.826 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -53.53 -29.68 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.851 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.31 -23.74 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 64.44 110.836 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.72 -14.89 13.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 73.44 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.61 -29.09 56.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 72.03 110.929 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.05 -12.69 41.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.888 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -102.97 47.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 74.53 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 64.5 t80 -87.72 -21.17 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 67' ' ' LEU . 3.1 mt -97.46 -2.22 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.69 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.15 110.941 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -110.35 -42.44 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.87 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -85.3 -24.12 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.901 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -114.49 -25.13 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.23 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p 47.18 77.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.893 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.17 -10.19 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 74.3 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -175.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 72.45 111.136 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -84.94 175.55 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 73.33 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -98.63 150.84 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.35 111.078 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 38.2 mt -55.88 131.47 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 74.21 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.0 t -76.47 -179.06 4.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.149 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -12.18 50.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.13 111.113 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -103.78 -11.39 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.33 110.842 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -94.74 -61.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 52.33 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.74 -48.46 69.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 74.43 111.14 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -50.97 -46.28 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.856 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.0 m -59.27 -58.61 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 74.33 111.093 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -51.14 -49.21 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' HA2' ' A' ' 95' ' ' GLY . 5.8 tp -63.82 -37.36 87.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.27 0.01 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.082 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.73 -16.03 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.12 111.107 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.68 -55.75 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 72.23 111.094 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 30.4 t70 -60.09 -72.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.884 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.43 11.03 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.02 110.839 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.489 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.8 m-20 -105.04 -20.5 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.867 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.09 25.32 49.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 64.34 112.49 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.489 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.89 -21.46 15.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 75.22 110.855 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.478 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 76.15 24.27 69.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 72.13 112.469 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 125.94 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 74.41 110.918 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.3 mm -84.59 149.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.112 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.88 -178.34 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 72.25 112.478 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.18 7.24 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 72.31 111.115 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -117.92 -10.05 10.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.87 -6.8 9.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -74.43 -67.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.532 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -50.59 -36.19 33.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.918 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.21 -29.07 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -85.19 -17.47 37.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.901 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.2 t -81.42 -78.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 73.01 111.143 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.17 -35.32 80.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 62.03 110.948 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 52.25 110.86 -179.829 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.876 0.369 . . . . 73.42 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -59.8 3.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.02 110.902 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p 49.48 24.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 74.21 111.152 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -130.52 0.55 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.835 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.25 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 75.14 111.122 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.0 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 73.05 110.938 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.06 161.08 76.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 64.14 110.858 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 71.42 112.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -46.42 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 72.12 110.876 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -58.6 -34.05 70.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.8 mt -78.0 -52.32 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.087 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.16 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 60.2 111.115 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -28.12 60.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.089 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.09 -26.56 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.35 111.111 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.04 -54.86 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.939 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -71.19 -11.11 60.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.97 -40.27 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 63.03 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.88 38.12 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.23 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -60.31 -35.15 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.23 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.06 150.1 11.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 62.52 111.128 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.98 67.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 71.05 112.333 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.72 34.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 62.43 110.887 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -123.98 8.28 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 70.3 110.842 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.66 178.99 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.38 158.24 58.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 74.43 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.16 30.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 73.32 112.393 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 33.11 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -134.09 20.06 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.912 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -2.6 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -94.68 -15.2 24.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 72.24 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -84.7 -33.63 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.5 -31.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 65.42 111.171 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -90.12 -70.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 75.33 110.86 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.5 31.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 55.25 112.486 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -64.89 -49.37 70.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 71.03 110.911 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.04 -35.2 59.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 60.11 110.846 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -63.49 -19.74 65.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -89.65 152.72 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 74.51 110.882 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -74.4 163.29 27.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.865 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -19.17 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.86 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.9 p -82.88 -22.13 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 74.04 110.883 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -92.03 -28.05 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -77.42 -20.58 54.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.93 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -74.11 -23.52 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.08 -46.63 89.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.52 -38.02 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.35 111.122 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -37.89 68.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 65.45 110.869 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -12.55 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 16.6 mm -98.69 -12.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.169 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -25.6 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.927 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -69.45 118.77 12.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 65.23 110.884 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.66 12.93 24.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.885 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.9 0.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.873 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 51.78 20.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.952 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.31 -24.67 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.33 110.864 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.21 -16.27 10.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.489 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.91 169.49 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 75.32 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.3 mt -117.04 84.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 70.01 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.85 173.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 73.15 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.03 -32.59 73.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.858 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -61.23 -19.62 61.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.4 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.44 -19.23 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.04 110.904 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.29 -32.13 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.11 110.965 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.58 -31.57 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.35 110.855 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.88 16.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 74.33 110.915 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.9 -31.96 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.41 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.6 mt -82.4 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.52 110.953 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.48 7.09 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 75.32 110.905 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -104.54 -30.4 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.878 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -99.28 -22.55 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.869 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -113.65 -33.57 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.834 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m 62.68 57.86 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.857 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 -21.22 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 74.11 112.455 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 75.22 111.108 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -79.04 179.75 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.72 150.12 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 62.4 mt -56.23 137.01 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.917 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -76.63 -174.82 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.146 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.69 -5.21 36.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 64.11 111.042 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.7 t -114.43 -3.45 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.837 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.38 -61.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -48.85 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.104 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -50.38 -48.04 56.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.8 m -54.89 -57.71 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 71.01 111.101 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -50.73 -47.65 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.24 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 8.9 tp -64.03 -36.33 83.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 74.02 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.48 3.36 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.116 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 -15.16 10.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -119.65 -57.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.138 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -62.44 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.858 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 68.13 7.41 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.42 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 -14.81 15.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.864 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.48 20.89 73.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 71.25 112.473 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.34 -37.7 51.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 71.15 110.849 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.46 21.52 44.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 70.22 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.59 116.95 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 74.33 110.926 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' CD1' ' OD1' ' A' ' 90' ' ' ASP . 6.1 mm -63.14 151.38 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 111.134 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.48 7.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 72.12 112.511 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.6 3.34 39.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 71.42 111.099 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -117.95 -5.29 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 72.13 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -126.9 2.23 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.892 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -91.14 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.539 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.04 -37.71 47.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.93 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -56.09 -31.35 63.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -82.1 -16.61 49.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.888 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' ' 103' ' ' GLN . 15.4 t -82.23 -78.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.15 111.128 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.84 -35.38 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 71.32 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.847 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.899 0.381 . . . . 75.22 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.71 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.923 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.96 20.62 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 73.31 111.147 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.44 -0.09 4.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.22 110.875 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.602 HD13 ' CD ' ' A' ' 45' ' ' GLU . 5.3 mp -133.41 -38.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.137 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.82 158.1 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.926 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.87 158.98 79.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 75.24 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 72.31 112.316 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -53.43 -45.23 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.33 110.848 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.03 -44.53 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.834 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.2 mt -68.54 -55.03 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.12 111.087 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.97 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.31 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.83 39.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.55 111.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.27 -36.73 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 61.4 111.1 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.34 -50.69 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.915 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -69.86 -31.15 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.876 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.29 -40.6 62.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.857 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.0 m -139.42 43.39 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.21 110.91 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.7 -35.65 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.915 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 150.43 7.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 65.13 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.96 49.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.74 2.293 . . . . 74.52 112.337 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 51.46 29.12 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.859 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.03 -21.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.45 110.857 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.84 176.74 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 73.53 110.884 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.79 158.08 50.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 72.04 110.902 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -12.1 32.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.63 2.22 . . . . 64.35 112.337 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 29.98 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.908 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -134.75 14.93 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.921 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.62 -9.32 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.923 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -94.69 -15.14 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 74.12 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.18 -31.96 30.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.58 -38.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.5 111.14 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -81.31 -74.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.846 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.4 35.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 74.22 112.49 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 32.1 mtp -70.49 -52.04 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 74.23 110.854 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.35 -33.9 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 75.34 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.2 -22.2 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 72.5 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -86.16 -163.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.918 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -120.25 160.74 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.867 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -47.14 55.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.88 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -60.62 -25.92 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.814 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -92.33 -15.31 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mt -96.08 -18.04 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.932 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -68.67 -25.12 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.23 110.915 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.602 ' CD ' HD13 ' A' ' 5' ' ' ILE . 1.2 pp20? -55.65 -49.4 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.818 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.0 mp -47.57 -45.56 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.183 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -37.76 68.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.922 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.15 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 72.3 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.5 mm -105.61 -12.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 73.55 111.12 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.67 -25.69 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.874 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -68.89 118.17 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.927 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.83 7.13 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.853 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -1.51 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.88 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 52.6 20.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.3 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -24.74 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.874 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.14 -17.33 8.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 71.4 112.503 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -133.43 169.0 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 75.42 110.824 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.7 mt -117.3 82.85 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.168 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.44 172.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.65 -30.83 70.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.887 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.52 -18.59 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 64.21 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.38 -19.19 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.31 -29.66 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 72.31 110.915 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.7 ptpt -61.32 -27.88 68.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.887 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -92.07 23.38 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.935 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.97 -28.78 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 63.34 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -85.73 -12.08 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.927 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.86 7.77 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 70.3 110.917 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -106.2 -30.43 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.884 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -99.6 -22.36 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.859 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -115.28 -19.87 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.857 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p 46.98 61.52 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.31 110.892 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.28 -17.38 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.459 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.92 179.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 74.45 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -77.42 175.72 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.5 m -95.8 -168.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 55.44 111.096 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 67.9 mt -104.37 137.37 42.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -76.74 -176.07 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.02 111.13 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.71 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.094 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.3 t -109.0 -6.41 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 52.32 110.89 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -97.03 -60.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.859 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -48.95 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.31 111.145 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -51.41 -46.5 62.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 63.23 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.9 m -56.63 -57.53 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.131 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.24 -50.07 51.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.42 110.842 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD23 ' HA2' ' A' ' 95' ' ' GLY . 3.7 tp -64.74 -32.61 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.16 -3.95 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.25 111.096 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.23 -13.38 10.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 72.42 111.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' HB3' ' HG2' ' A' ' 105' ' ' MET . . . -118.21 -40.67 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 50.15 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -93.65 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.908 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 50.63 21.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.819 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -105.43 -16.3 14.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.65 6.4 73.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 72.4 112.495 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.79 -42.69 63.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 74.34 110.871 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 89.53 16.28 57.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 72.23 112.498 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.08 123.26 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 73.12 110.927 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 7.9 mm -67.57 147.24 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.14 111.127 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.06 -179.81 16.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 74.24 112.538 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.41 8.52 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 71.42 111.096 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -124.31 -4.27 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.18 9.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -96.11 -64.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 74.04 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.531 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.07 -37.62 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 74.22 110.915 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.03 -33.39 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.927 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.401 ' HG2' ' HB3' ' A' ' 89' ' ' ALA . 1.3 ppp? -78.07 -17.48 56.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.868 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 103' ' ' GLN . 18.7 t -80.15 -77.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.078 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.01 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 73.21 110.821 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.882 0.373 . . . . 72.41 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.3 tp -117.96 -72.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 74.14 110.897 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.49 27.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.11 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.67 -4.81 10.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 64.53 110.852 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.0 mp -139.06 -47.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.144 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.84 158.89 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 73.33 110.891 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.75 160.81 78.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.678 0.751 . . . . 74.41 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 74.24 112.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -46.4 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.832 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -58.66 -35.2 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 55.02 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.78 -51.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.51 111.149 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.8 -22.35 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 53.15 111.079 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.63 -22.5 37.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 73.34 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.74 -29.37 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.5 111.108 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.42 -54.35 14.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.904 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -69.91 -26.48 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.43 -52.56 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -131.8 40.38 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.902 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -52.44 -36.54 54.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.919 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 72.41 111.056 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.89 68.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 71.23 112.344 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.85 34.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.6 -12.28 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.51 110.847 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -125.08 140.05 53.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.33 160.39 29.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 63.51 110.86 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.82 37.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 75.34 112.354 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.56 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.23 110.921 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -127.69 11.18 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -105.48 -19.18 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -81.6 -4.88 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -93.18 -36.87 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.914 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -88.12 -26.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 74.34 111.104 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.01 -69.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.53 110.878 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.57 40.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 53.34 112.484 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.7 mtp -70.93 -48.71 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 62.14 110.876 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.7 p -53.8 -33.87 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.846 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -16.81 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 75.11 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -92.85 159.84 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.903 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 179.33 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -10.16 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.844 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -93.19 -32.1 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.887 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -72.32 -35.64 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.925 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.95 -17.49 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.41 110.959 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -70.42 -26.3 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.901 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.56 -46.79 88.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.13 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 mt -56.7 -37.36 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -38.63 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 71.11 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -12.49 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.906 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mm -97.12 -16.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 74.2 111.146 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.33 -24.98 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.907 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.51 117.14 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.865 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.9 0.58 35.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.51 110.906 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 0.77 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.852 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 51.75 21.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -69.32 -17.74 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.839 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.46 -16.32 21.9 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.809 -0.71 . . . . 61.53 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -132.93 166.53 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 73.13 110.865 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.16 105.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 73.34 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.79 168.41 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 72.41 110.905 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.72 -30.28 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.01 -22.65 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 63.51 110.862 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.12 -18.76 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 74.35 110.905 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -29.67 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.51 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.2 ptpt -62.47 -26.82 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 61.31 110.88 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -93.03 23.49 4.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.32 110.93 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.98 -27.83 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.901 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -83.37 -17.66 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.931 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.03 3.7 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 70.11 110.929 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.02 -30.62 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.861 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -105.48 -15.47 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 54.44 110.923 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -115.75 -35.12 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 72.1 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 59.46 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 73.1 110.849 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.25 -16.37 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 53.11 112.477 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.09 174.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 64.35 111.103 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -70.46 -173.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.86 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -106.68 -167.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.42 111.14 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 37.4 mt -103.94 134.56 47.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 73.21 110.922 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.1 t -77.04 -178.67 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.14 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.86 58.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.088 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.0 t -104.34 -9.49 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 74.15 110.854 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.81 -59.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.905 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.87 -47.96 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.106 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -50.53 -51.81 44.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.7 m -52.35 -57.02 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.54 111.138 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -51.04 -46.55 61.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.53 HD12 ' CB ' ' A' ' 90' ' ' ASP . 10.9 tp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.892 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -2.13 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.55 111.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.87 -17.7 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 71.11 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.25 -9.71 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 65.25 111.104 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' CB ' HD12 ' A' ' 86' ' ' LEU . 1.3 m-20 -134.33 27.04 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.64 -17.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 65.42 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -60.39 -29.65 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 52.04 110.876 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.36 18.14 43.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 60.4 112.548 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.7 -33.59 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 74.23 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.41 12.09 70.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 63.41 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 120.29 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 75.25 110.877 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 12.0 mm -69.83 144.81 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.4 111.118 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.49 179.89 16.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 74.23 112.425 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.93 8.45 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 71.43 111.082 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -119.15 -12.11 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.42 110.902 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -124.63 9.7 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 71.54 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -94.59 -60.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.897 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.543 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -55.07 -37.33 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.23 110.959 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.22 -31.61 63.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 73.51 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -81.83 -15.05 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.904 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.543 HG22 ' HA ' ' A' ' 103' ' ' GLN . 14.9 t -84.37 -78.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 61.42 111.12 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.39 -35.4 80.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.876 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.2 110.875 -179.804 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.944 0.402 . . . . 64.35 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.59 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 73.32 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.72 23.36 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 70.15 111.113 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.68 -3.43 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.67 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.15 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -97.22 158.5 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.3 110.895 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 161.06 76.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.683 0.754 . . . . 65.25 110.806 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 75.32 112.367 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -54.81 -46.51 74.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.894 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.75 -34.98 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.43 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -75.49 -52.8 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.145 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.69 38.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.135 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.97 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.21 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.78 -45.55 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.14 111.087 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.8 mt -52.88 -53.28 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 65.13 110.952 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -70.27 -31.57 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.873 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -39.8 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.908 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.71 46.18 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.848 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.08 -36.57 77.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.946 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 148.97 23.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 65.23 111.104 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.81 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.715 2.277 . . . . 73.14 112.326 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.32 29.21 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 75.32 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.79 14.66 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.854 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.35 164.63 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 73.54 110.897 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 160.72 58.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 73.24 110.869 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -20.83 34.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 62.52 112.345 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 29.81 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.886 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -134.99 17.65 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 74.45 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.16 -9.56 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -90.46 -15.14 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.853 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.56 -33.97 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.78 -31.19 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.117 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -91.8 -69.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.833 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.82 29.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 62.11 112.51 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 58.8 mtp -63.25 -49.02 75.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 73.5 110.869 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m -54.01 -35.12 61.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 54.44 110.873 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -66.02 -14.01 60.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.02 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.84 156.3 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 74.04 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 m -74.1 164.03 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 75.52 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -17.0 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 62.55 110.855 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -87.98 -32.58 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 72.14 110.907 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -73.72 -31.93 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 72.45 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.4 HD22 HG13 ' A' ' 106' ' ' VAL . 6.4 mt -75.07 -18.05 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -70.21 -27.31 64.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.919 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -62.26 -46.77 87.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mt -58.47 -29.97 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 65.45 111.138 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -24.22 66.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.882 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -3.34 38.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 71.53 110.887 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mm -109.36 -14.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 65.35 111.115 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.08 -25.67 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 70.22 110.947 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.7 117.96 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 71.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 2.06 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.895 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.95 1.27 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.852 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 51.46 21.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -71.03 -17.36 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.77 -15.06 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 64.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -130.59 162.5 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 71.31 110.907 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -117.59 102.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.17 164.9 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.901 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.37 -28.88 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.852 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -24.08 67.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 70.53 110.927 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -112.8 -14.27 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.859 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.1 -27.17 54.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.941 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -64.19 -11.96 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 65.11 110.931 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -97.27 22.22 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.892 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -56.44 -26.21 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.897 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' N ' HD21 ' A' ' 67' ' ' LEU . 1.3 mt -86.75 -13.35 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 73.43 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 14.4 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 73.04 110.903 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -110.08 -34.77 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.873 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -95.22 -25.32 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.09 -32.99 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 72.23 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m 62.65 59.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 154.66 -19.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 41.05 112.479 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 179.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 65.42 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.52 179.72 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 73.45 110.908 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.9 m -99.82 -168.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.127 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -103.73 138.77 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.957 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -77.12 -176.72 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 75.02 111.158 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.39 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 73.33 111.079 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -106.67 -9.15 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.911 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -96.29 -62.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 73.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -50.67 -47.69 58.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.31 111.146 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -48.73 -46.48 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.0 m -59.75 -59.87 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.13 111.109 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.53 -48.04 63.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.56 HD23 ' HA2' ' A' ' 95' ' ' GLY . 18.1 tp -63.59 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.919 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.8 2.91 24.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.32 111.13 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.01 -16.55 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.128 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.43 -55.58 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.097 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.435 ' HB2' HD12 ' A' ' 86' ' ' LEU . 29.2 t70 -60.11 -71.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 54.44 110.876 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 58.34 11.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.54 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.456 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 2.1 m-20 -105.38 -19.61 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.843 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.02 26.44 48.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 73.04 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.456 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -98.47 -35.2 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 75.03 110.883 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.56 ' HA2' HD23 ' A' ' 86' ' ' LEU . . . 98.54 -7.48 61.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 70.33 112.507 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 133.51 55.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 75.4 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 37.3 mm -87.71 135.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 75.04 111.18 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.98 157.96 15.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.502 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.26 -10.64 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 61.04 111.095 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.86 -12.05 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 70.52 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -127.12 -1.25 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 71.42 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -77.11 -71.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.576 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.19 -35.11 34.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.53 110.915 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.57 -25.99 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.54 110.899 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -87.61 -18.18 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 63.44 110.891 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 103' ' ' GLN . 13.1 t -80.17 -77.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 74.52 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -48.93 -33.37 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.918 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.13 110.853 -179.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.845 0.355 . . . . 72.14 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.2 -70.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 71.34 110.945 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.27 24.35 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.138 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.03 -11.93 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 64.53 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.68 -43.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 65.32 111.139 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -128.03 158.24 38.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.941 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.83 160.89 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 75.2 110.829 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 74.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 p -55.28 -31.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 75.32 110.838 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.6 -35.55 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 62.13 110.84 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.29 -54.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.089 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.06 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 75.34 111.065 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.96 -19.91 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 63.21 111.107 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.35 -18.26 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.31 111.045 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.9 mt -75.22 -57.15 4.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 75.01 110.967 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -3.57 35.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.893 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.31 -39.82 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -134.74 24.73 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -49.95 -39.56 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.933 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.14 152.37 4.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 71.24 111.124 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.51 53.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.724 2.283 . . . . 72.22 112.354 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.98 17.09 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.91 -18.12 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 65.05 110.836 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.63 161.3 14.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 73.3 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.78 156.85 36.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 74.13 110.863 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -26.74 27.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 72.51 112.357 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 22.38 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -122.65 16.27 10.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.932 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -116.89 -18.31 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.924 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -83.14 -8.98 59.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 64.23 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.11 -39.98 15.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -87.4 -28.42 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.111 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 t -95.82 -69.01 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.898 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.03 61.62 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.494 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.5 mtp -89.16 -51.11 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 71.33 110.905 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -52.81 -33.98 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.817 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.79 -24.78 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 71.11 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -77.35 -162.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.87 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 t -120.93 158.33 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 53.13 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.41 -26.77 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 64.11 110.847 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -76.77 -27.86 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.42 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -87.43 -33.04 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -75.92 -21.29 57.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.3 110.916 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -16.51 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.887 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.45 -46.67 63.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.1 mt -51.71 -33.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.14 111.085 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -31.2 63.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.878 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -5.53 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.857 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.1 mm -106.6 -15.01 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.41 111.161 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -25.64 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.921 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -67.71 118.85 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.48 -2.49 28.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.848 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -0.25 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.888 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 51.71 21.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -68.79 -17.99 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.88 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.31 -19.09 13.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.742 . . . . 64.34 112.534 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.57 167.18 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 72.41 110.922 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.57 101.26 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.168 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.37 161.47 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.892 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.27 -29.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.851 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.03 -26.28 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -110.74 -17.25 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -29.8 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 73.14 110.927 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.0 ptpt -63.12 -16.77 61.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.877 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -100.18 41.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.974 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -78.6 -22.62 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 71.31 110.925 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 67' ' ' LEU . 5.3 mt -90.19 -3.74 57.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.94 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 0.46 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -101.71 -30.91 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.923 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -100.58 -18.48 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.85 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -116.01 -35.83 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.11 110.906 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m 62.15 62.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.45 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.08 -15.13 1.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 55.42 112.507 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.43 179.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 71.1 111.121 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -76.86 -178.15 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.1 m -100.26 -168.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 20.1 mt -103.93 133.38 48.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.5 t -76.59 179.38 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.158 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.61 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 70.41 111.091 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 t -101.17 -10.91 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.853 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -97.95 -59.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.883 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -48.22 73.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.111 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -49.71 -51.01 41.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.9 m -51.66 -52.48 47.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.159 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -56.8 -44.27 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.87 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.505 HD12 ' CB ' ' A' ' 90' ' ' ASP . 10.4 tp -68.37 -16.15 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.76 -16.62 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.125 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.43 -17.07 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.22 111.088 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.69 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.079 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.505 ' CB ' HD12 ' A' ' 86' ' ' LEU . 29.8 t70 -104.04 26.43 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.862 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -49.93 -14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.22 110.864 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -64.45 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 71.14 110.837 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 44.45 4.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 63.42 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.72 -27.44 12.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 65.34 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.0 15.65 60.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 71.21 112.495 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 133.67 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 75.44 110.906 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 50.8 mm -75.11 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 157.1 19.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 73.42 112.476 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.16 -6.38 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 74.42 111.1 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -101.88 -24.18 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 75.25 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -110.84 0.11 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 65.22 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -75.88 -67.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.518 ' HA ' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -51.09 -35.47 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.908 -179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -27.56 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.918 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.8 ppp? -85.91 -17.71 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.874 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.518 HG22 ' HA ' ' A' ' 103' ' ' GLN . 17.4 t -79.85 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.5 -35.38 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 70.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.842 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.803 0.335 . . . . 74.510000000000005 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.29 -1.7 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 34.219999999999999 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.29 -66.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.010000000000005 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 34' ' ' GLY . 14.9 mt -96.83 158.14 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 110.957 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 160.16 76.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 75.439999999999998 110.857 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 51.039999999999999 112.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -57.42 -31.34 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.040000000000006 110.883 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.43 -35.5 65.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.41 -51.09 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 63.149999999999999 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.28 -31.08 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 51.219999999999999 111.144 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -81.58 -28.22 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 111.069 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 ' C ' ' A' ' 70' ' ' PHE . 11.3 mt -69.77 -54.5 13.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 73.540000000000006 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -66.92 -26.16 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.89 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.78 -51.32 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.510000000000005 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -133.08 42.92 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.310000000000002 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.010000000000005 110.931 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 151.7 43.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.532 0.682 . . . . 55.210000000000001 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.11 59.14 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.257 . . . . 74.409999999999997 112.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t0 51.44 28.99 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.400000000000006 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.89 -25.86 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.530000000000001 110.886 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 77' ' ' LEU . 9.2 p90 -94.91 -176.71 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.871 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.35 160.21 32.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 53.049999999999997 110.866 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.586 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.71 -24.05 30.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.718 2.278 . . . . 55.409999999999997 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.11 29.57 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.010000000000005 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -135.33 22.2 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.099999999999994 110.873 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -1.66 9.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.858 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -96.84 -11.85 24.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.82 -36.71 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.099999999999994 110.971 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.8 mp -88.44 -31.2 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.299999999999997 111.161 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -89.97 -69.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 63.43 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.68 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.49 32.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 52.340000000000003 112.505 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.601 ' O ' HD21 ' A' ' 43' ' ' LEU . 65.9 mtp -64.03 -49.18 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 72.430000000000007 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 106' ' ' VAL . 57.0 p -53.05 -33.78 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 73.049999999999997 110.9 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -21.78 66.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.15 152.35 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 64.420000000000002 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -74.05 160.08 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 61.399999999999999 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.69 -25.94 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 61.119999999999997 110.875 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -77.27 -36.78 54.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 110.873 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -74.37 -29.73 61.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.420000000000002 110.94 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 106' ' ' VAL . 5.4 mt -75.75 -12.86 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 110.952 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -82.21 -32.59 29.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.329999999999998 110.89 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -55.35 -29.2 57.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.030000000000001 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 50' ' ' LEU . 6.1 mt -76.43 -39.02 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -38.05 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 110.876 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -13.85 56.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.140000000000001 110.861 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HH21 ' A' ' 69' ' ' ARG . 5.3 mm -99.07 -15.11 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.135 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.79 -25.35 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.510000000000005 110.905 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -68.15 94.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.319999999999993 110.882 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.39 8.0 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.912 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.33 -13.61 7.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.049999999999997 110.858 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 60.7 15.31 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -35.92 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.803 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.61 -13.48 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 71.140000000000001 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -132.39 169.79 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.5 80.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 63.329999999999998 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.21 172.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.94 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.96 -32.84 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 72.400000000000006 110.91 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -19.35 63.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 71.150000000000006 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.49 -11.04 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.150000000000006 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -81.63 -28.84 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 74.010000000000005 110.917 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -64.48 -12.89 48.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.902 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE1' HG12 ' A' ' 76' ' ' VAL . 12.6 m-85 -97.33 24.08 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.901 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 77' ' ' LEU . 36.3 t80 -55.36 -35.1 64.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.872 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -79.36 -12.36 59.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 61.509999999999998 110.923 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 6.42 43.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.905 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.648 HH21 HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -103.12 -33.18 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.604 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.0 m-85 -100.38 -20.89 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.409999999999997 110.84 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' HG2' HD13 ' A' ' 15' ' ' LEU . 2.4 tm-20 -111.86 -35.61 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m 62.19 59.08 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 62.420000000000002 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.87 -19.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 53.539999999999999 112.517 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 179.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 24.140000000000001 111.123 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.14 177.95 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 61.240000000000002 110.878 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.7 m -95.85 -166.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 71.120000000000005 111.101 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 67' ' ' LEU . 26.3 mt -103.81 160.45 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.439999999999998 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -104.83 -179.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 70.209999999999994 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.7 -11.57 46.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.102 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 38.3 t -102.91 -1.36 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.010000000000005 110.836 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HG2' HG22 ' A' ' 78' ' ' THR . 25.4 mm-40 -113.15 -64.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 110.889 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.86 -48.69 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.5 111.144 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -53.61 -51.78 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.240000000000002 110.886 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -55.28 -57.9 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.200000000000003 111.156 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -50.47 -45.42 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.409999999999997 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.436 ' HA ' HD11 ' A' ' 97' ' ' ILE . 14.5 tp -64.77 -36.93 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.18 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 111.145 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.24 -16.31 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.747 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.65 -55.24 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.125 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 27.1 t70 -59.19 -72.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 75.400000000000006 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.93 10.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.517 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.4 m-20 -106.3 -15.19 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.099999999999994 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.18 43.9 30.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 73.219999999999999 112.48 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -117.77 -17.14 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 73.109999999999999 110.884 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 75.73 21.6 76.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 72.109999999999999 112.508 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -147.95 126.39 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.230000000000004 110.873 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.3 mm -79.96 144.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 62.130000000000003 111.128 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.94 15.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 64.450000000000003 112.49 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.02 5.25 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 71.409999999999997 111.102 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -115.56 -19.62 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -112.87 9.68 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 75.030000000000001 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -91.8 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 51.439999999999998 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -39.89 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.129999999999995 110.887 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.35 -33.07 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.929 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -78.95 -15.01 58.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 110.834 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG11 ' CD2' ' A' ' 43' ' ' LEU . 12.8 t -85.28 -78.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 72.400000000000006 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.13 -35.4 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.409999999999997 110.827 -179.776 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 64.540000000000006 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.32 -3.85 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 43.130000000000003 110.849 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mp -140.85 -46.59 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.519999999999996 111.139 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.626 HD13 ' OG ' ' A' ' 33' ' ' SER . 8.2 mt -125.93 158.51 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.120000000000005 110.917 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.06 160.44 78.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 63.329999999999998 110.856 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 70.019999999999996 112.374 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.4 p -53.96 -46.26 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 110.844 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.1 -35.36 73.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.847 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.33 -52.86 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 62.240000000000002 111.122 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.69 -23.38 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.420000000000002 111.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.47 -23.38 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 52.5 111.089 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.32 -26.83 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 52.200000000000003 111.091 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD13 ' HG2' ' A' ' 71' ' ' GLU . 51.4 mt -69.77 -55.22 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.230000000000004 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -70.53 -11.91 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.450000000000003 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.79 -40.56 61.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 70.420000000000002 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -134.42 36.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 52.310000000000002 110.882 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.42 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.299999999999997 110.875 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.12 151.89 4.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 40.219999999999999 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.36 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 54.439999999999998 112.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t0 62.89 16.2 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.07 -37.53 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 55.43 110.889 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.95 170.27 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 73.200000000000003 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -157.73 148.89 16.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 61.350000000000001 110.853 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.82 -11.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 53.299999999999997 112.334 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.92 25.28 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 54.340000000000003 110.889 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.94 18.36 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 110.872 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -118.75 -20.27 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -82.96 -8.85 59.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.4 -38.65 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.140000000000001 110.91 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.5 mp -88.58 -25.91 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.150000000000006 111.093 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.626 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.3 t -94.69 -69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.852 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.87 31.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 61.450000000000003 112.474 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.599 ' O ' HD21 ' A' ' 43' ' ' LEU . 53.5 mtp -63.33 -49.98 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 55.340000000000003 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' HG12 ' A' ' 106' ' ' VAL . 83.0 p -54.01 -33.39 57.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.229999999999997 110.891 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -63.8 -15.98 60.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 75.439999999999998 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.21 158.94 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 65.150000000000006 110.94 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 t -73.81 -179.72 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 72.299999999999997 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -16.6 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 64.129999999999995 110.848 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -89.65 -11.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.010000000000005 110.851 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -94.5 -35.7 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.019999999999996 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 106' ' ' VAL . 2.8 mt -73.13 -20.29 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -23.0 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.25 110.866 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.22 -46.64 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 52.130000000000003 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.2 mp -55.8 -37.51 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 61.219999999999999 111.15 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -39.57 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 64.439999999999998 110.893 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -12.96 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 70.340000000000003 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.7 mm -99.04 -13.03 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 111.169 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.48 -25.75 17.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 110.93 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -69.16 117.46 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.18 10.62 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -1.65 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 52.54 20.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 55.210000000000001 110.906 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -71.07 -27.8 63.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.04 -16.55 7.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 54.439999999999998 112.452 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -133.0 169.28 17.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 74.239999999999995 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mt -116.98 83.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.120000000000005 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.31 174.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.099999999999994 110.898 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -62.86 -31.01 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 65.109999999999999 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.97 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.409999999999997 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -113.49 -29.45 7.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -58.6 -42.15 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 40.520000000000003 110.932 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 8.5 ptpt -51.4 -29.51 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.912 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 76' ' ' VAL . 80.7 m-85 -94.66 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.933 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -79.06 -25.34 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.340000000000003 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.74 -13.14 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 63.539999999999999 110.922 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -0.48 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 110.904 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -99.39 -30.99 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 70.140000000000001 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.558 ' O ' HD11 ' A' ' 15' ' ' LEU . 60.8 m-85 -104.88 -18.15 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.340000000000003 110.892 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -113.81 -24.81 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.520000000000003 110.892 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.9 p 48.14 61.89 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 42.020000000000003 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.22 -15.36 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 65.209999999999994 112.479 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.55 175.64 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 65.319999999999993 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.7 -170.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 62.420000000000002 110.882 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.9 m -106.68 -166.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 54.229999999999997 111.184 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 67' ' ' LEU . 52.9 mt -103.92 134.67 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.049999999999997 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 10.5 t -76.35 -179.25 5.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.151 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 -11.76 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 111.081 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 33.8 t -104.64 -8.06 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 78' ' ' THR . 18.4 mm-40 -98.39 -58.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 110.858 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.613 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.13 -48.96 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.530000000000001 111.172 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.09 -46.57 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.540000000000006 110.919 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.5 m -55.68 -53.0 61.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 75.530000000000001 111.133 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -54.32 -48.34 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.340000000000003 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 15.4 tp -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.409999999999997 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.11 2.69 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.8 -15.12 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 52.210000000000001 111.115 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.44 -55.9 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 111.134 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.603 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.41 -72.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 61.88 10.84 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 71.319999999999993 110.811 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.15 -14.29 15.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 53.140000000000001 110.854 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.93 73.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 70.120000000000005 112.488 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.5 -39.22 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 74.340000000000003 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.69 18.13 52.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.505 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 120.85 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.709 0.29 . . . . 70.120000000000005 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.603 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.9 mm -73.28 153.05 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 111.145 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -138.53 -148.66 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 33.399999999999999 112.502 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.59 1.27 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 51.140000000000001 111.061 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.96 -0.45 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -133.31 5.35 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.905 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -94.01 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.319999999999993 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -37.43 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 72.049999999999997 110.858 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.29 -31.42 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.774 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.0 OUTLIER -82.12 -15.64 52.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.89 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 43' ' ' LEU . 13.8 t -84.22 -78.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -35.59 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 63.530000000000001 110.901 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.851 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.795 0.331 . . . . 60.420000000000002 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -126.51 -1.66 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.843 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.419 HD12 ' C ' ' A' ' 4' ' ' ASP . 5.3 mp -143.23 -67.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.102 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD13 ' OG ' ' A' ' 33' ' ' SER . 12.3 mt -96.94 159.09 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 42.240000000000002 110.934 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 160.86 77.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 65.219999999999999 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.84 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 71.510000000000005 112.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -53.7 -46.63 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 60.439999999999998 110.813 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.3 -35.01 73.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.885 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.74 -52.84 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.68 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 23.149999999999999 111.124 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.95 -25.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 51.109999999999999 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -88.35 -45.85 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 54.140000000000001 111.121 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 70' ' ' PHE . 15.1 mt -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.9 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -73.29 -31.64 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.95 -40.22 63.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.549999999999997 110.916 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.1 m -138.95 41.15 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 65.040000000000006 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -55.67 -37.62 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.931 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.21 153.3 3.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 64.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.93 52.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 75.400000000000006 112.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 54.91 26.44 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.310000000000002 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -111.27 -24.12 10.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.439999999999998 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.68 175.1 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 51.200000000000003 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -149.94 152.55 34.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 74.319999999999993 110.884 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.679 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.76 -12.25 32.51 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 72.239999999999995 112.365 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 22.39 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.040000000000006 110.94 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -131.88 14.88 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 62.240000000000002 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.5 -9.44 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.510000000000005 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -90.48 -13.79 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.350000000000001 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.44 -31.92 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.409999999999997 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.3 mp -94.87 -31.12 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 64.219999999999999 111.148 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.667 ' OG ' HD13 ' A' ' 6' ' ' LEU . 7.5 t -88.31 -69.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.519999999999996 110.834 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.599 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.62 30.06 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 33.32 112.458 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.614 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.3 mtp -63.07 -54.06 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 45.43 110.829 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -34.06 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.430000000000007 110.841 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -59.61 -20.71 57.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -162.24 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.91 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -120.88 160.43 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.47 -25.37 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 61.130000000000003 110.867 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -27.94 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.230000000000004 110.865 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -86.99 -30.75 21.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.905 HD22 HG11 ' A' ' 106' ' ' VAL . 2.4 mt -78.37 -20.57 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.932 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -16.34 60.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.91 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.55 -50.78 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.882 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.7 mt -50.86 -34.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 111.083 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -37.74 68.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -11.87 54.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.845 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.3 mm -99.33 -13.37 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 111.173 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.83 -25.72 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 65.420000000000002 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -69.6 118.64 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 71.239999999999995 110.922 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.93 9.59 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.12 -0.61 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 62.219999999999999 110.887 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 52.86 20.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 60.539999999999999 110.921 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.77 -23.49 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.812 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.99 -11.52 17.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 72.420000000000002 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -133.58 164.4 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.299999999999997 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.66 89.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 62.100000000000001 111.144 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.02 174.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.12 -33.02 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.519999999999996 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -61.65 -16.65 50.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 62.450000000000003 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.6 -18.13 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.72 -29.71 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 61.130000000000003 110.892 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -19.81 62.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.848 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -95.14 21.01 8.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 72.239999999999995 110.946 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -55.52 -32.09 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 77' ' ' LEU . 1.1 mt -80.69 -14.52 58.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 51.399999999999999 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 6.78 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.310000000000002 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -103.62 -30.76 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.575 ' CB ' HD11 ' A' ' 15' ' ' LEU . 68.2 m-85 -100.04 -26.15 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.891 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.6 tt0 -111.72 -34.22 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 73.099999999999994 110.881 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t 62.96 59.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 110.875 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.32 -20.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 74.310000000000002 112.45 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 174.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 52.43 111.127 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -174.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.409999999999997 110.872 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -113.06 151.68 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 111.096 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 67' ' ' LEU . 24.4 mt -57.04 134.43 55.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.430000000000007 110.893 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 80' ' ' SER . 10.2 t -77.31 -175.57 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.430000000000007 111.124 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.89 -9.65 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.510000000000005 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 78' ' ' THR . 31.6 t -110.13 -4.81 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 70.030000000000001 110.826 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 78' ' ' THR . 40.6 mt-10 -98.53 -60.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.77 -48.57 59.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.139 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -51.1 -46.68 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 63.439999999999998 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 26' ' ' PRO . 29.3 m -59.69 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.25 111.127 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.43 -47.52 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.209999999999994 110.859 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.506 ' HA ' HD11 ' A' ' 97' ' ' ILE . 10.0 tp -64.6 -36.45 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 70.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.68 1.63 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.127 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.78 -16.64 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.209999999999994 111.122 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -114.87 -55.92 2.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 111.073 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 32.6 t70 -59.06 -71.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 51.100000000000001 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 60.27 9.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 72.439999999999998 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 -105.55 -18.65 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.34 16.79 73.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 62.200000000000003 112.482 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.35 -33.75 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 72.120000000000005 110.872 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.33 56.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 25.43 112.48 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.24 126.85 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 74.219999999999999 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 89' ' ' ALA . 49.2 mm -71.83 145.06 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' A' ' 101' ' ' GLU . . . -122.93 157.07 17.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 55.039999999999999 112.494 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -4.51 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 61.100000000000001 111.144 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -104.58 -21.08 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.549999999999997 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 98' ' ' GLY . 3.7 pt-20 -111.43 0.12 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -78.21 -67.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.46 31.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.05 -30.34 61.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.876 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.79 -16.77 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 54.509999999999998 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.905 HG11 HD22 ' A' ' 43' ' ' LEU . 20.5 t -80.61 -77.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.158 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.53 -35.05 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 74.439999999999998 110.826 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.342 . . . . 75.340000000000003 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.3 -12.08 15.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.310000000000002 110.896 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.2 mp -118.08 -46.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 111.127 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.4 mt -131.06 158.91 39.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 75.340000000000003 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.6 160.9 78.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.723 0.773 . . . . 75.239999999999995 110.797 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 55.210000000000001 112.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.38 -46.57 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.837 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.52 -35.37 74.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 64.519999999999996 110.851 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.5 mt -75.51 -50.7 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 111.127 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.46 -26.6 43.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.118 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.66 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.14 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 55.4 mt -57.83 -50.45 73.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.219999999999999 110.929 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 72.310000000000002 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.28 -44.21 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.239999999999995 110.884 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 m -134.06 41.35 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 32.420000000000002 110.913 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.19 -31.48 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.010000000000005 110.945 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.18 150.6 2.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.542 0.687 . . . . 63.149999999999999 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.78 65.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 64.25 112.379 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.43 33.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.97 -35.35 3.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.805 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.8 174.99 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.5 110.9 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.85 155.39 31.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 72.010000000000005 110.816 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.77 -12.7 33.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 75.420000000000002 112.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 35.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.310000000000002 110.882 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -129.04 20.82 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.905 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 0.23 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.879 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -106.63 -13.31 15.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -91.27 -29.47 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 65.420000000000002 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -99.57 -24.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 65.510000000000005 111.184 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.2 t -99.06 -68.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 64.430000000000007 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.26 33.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 51.420000000000002 112.478 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.56 ' O ' HD21 ' A' ' 43' ' ' LEU . 50.2 mtp -63.24 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 73.040000000000006 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.8 p -53.95 -35.25 61.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 64.340000000000003 110.874 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.76 -15.56 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 72.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -84.34 -163.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -120.62 158.74 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.869 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.421 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.65 -31.61 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.815 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -73.6 -35.52 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 110.864 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -73.57 -46.35 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 74.120000000000005 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -62.65 -18.29 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -26.66 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.099999999999994 110.925 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.35 -46.01 89.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 50' ' ' LEU . 5.1 mt -53.17 -40.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 71.230000000000004 111.117 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -40.15 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -12.47 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.319999999999993 110.835 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.3 mm -97.74 -17.24 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.329999999999998 111.103 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -92.0 -25.5 18.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.901 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.46 117.8 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 63.240000000000002 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.73 -2.5 21.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 61.130000000000003 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.34 0.25 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.530000000000001 110.846 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.28 22.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -69.08 -14.83 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.901 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.63 -20.35 18.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 32.109999999999999 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -132.45 171.79 13.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 74.040000000000006 110.916 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -119.37 100.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.230000000000004 111.135 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.56 167.64 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 65.329999999999998 110.883 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -53.17 -29.85 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.450000000000003 110.842 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -61.84 -22.62 65.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.120000000000005 110.869 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.21 -17.43 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.886 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.29 -29.5 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 110.925 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.5 ptpt -62.28 -28.6 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 65.019999999999996 110.862 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 76' ' ' VAL . 74.7 m-85 -91.61 23.54 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.049999999999997 110.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.77 -28.89 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 73.439999999999998 110.906 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.91 -13.73 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 6.01 30.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 70.349999999999994 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -104.7 -30.64 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.514 ' CB ' HD11 ' A' ' 15' ' ' LEU . 37.0 m-85 -101.06 -18.83 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.822 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -116.71 -22.65 8.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p 48.36 60.87 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.329999999999998 110.834 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.51 -18.43 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 70.310000000000002 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 178.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 74.420000000000002 111.088 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.61 175.15 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.319999999999993 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.7 m -93.26 -168.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 67' ' ' LEU . 78.8 mt -103.86 139.71 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.209999999999994 110.876 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.87 -177.42 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 53.439999999999998 111.18 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.11 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 111.097 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -108.47 -8.5 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 41.140000000000001 110.868 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 78' ' ' THR . 5.8 mm-40 -96.21 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.219999999999999 110.86 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.53 -48.46 63.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.167 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.58 -49.67 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.150000000000006 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.7 m -52.36 -56.49 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 62.520000000000003 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.85 -47.43 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.91 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 29.3 tp -63.81 -34.3 77.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 73.030000000000001 110.921 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.02 3.28 49.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.019999999999996 111.132 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.76 -16.82 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 55.039999999999999 111.064 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.95 -56.06 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.039999999999999 111.081 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.626 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.16 -69.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 110.882 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 55.39 17.21 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 71.430000000000007 110.883 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.06 -11.94 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.87 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.8 78.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 73.239999999999995 112.438 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.23 -39.44 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 62.340000000000003 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.37 41.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 53.310000000000002 112.5 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.3 119.84 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 74.439999999999998 110.906 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.626 HD13 ' OD2' ' A' ' 90' ' ' ASP . 13.6 mm -68.78 152.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 63.240000000000002 111.148 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -134.28 -148.97 5.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.099999999999994 112.449 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.71 -1.58 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 54.219999999999999 111.114 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -113.89 -2.47 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.430000000000007 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.07 0.06 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 110.914 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HD2' HG21 ' A' ' 97' ' ' ILE . 44.0 t80 -86.52 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 62.32 110.856 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.78 -36.73 38.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 62.200000000000003 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -31.97 63.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 64.219999999999999 110.898 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.636 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -81.5 -16.17 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.340000000000003 110.864 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 43' ' ' LEU . 15.0 t -83.08 -78.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -62.03 -35.57 78.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.917 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.802 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 52.409999999999997 111.149 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -1.07 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.450000000000003 110.905 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.446 HD11 ' HB2' ' A' ' 45' ' ' GLU . 5.4 mp -142.58 -67.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 52.299999999999997 111.167 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 34' ' ' GLY . 7.0 mt -97.11 158.7 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.019999999999996 110.922 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.51 160.51 77.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.748 . . . . 70.439999999999998 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 62.119999999999997 112.355 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -46.9 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.219999999999999 110.865 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.75 -34.27 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 75.040000000000006 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.2 -51.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 70.010000000000005 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.87 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 45.229999999999997 111.079 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.73 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 111.084 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.98 -34.24 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 111.102 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.638 HD11 ' O ' ' A' ' 70' ' ' PHE . 21.6 mt -59.76 -56.43 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 71.040000000000006 110.912 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -29.94 68.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.240000000000002 110.907 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -51.28 -47.97 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -135.84 42.96 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.209999999999994 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -57.8 -36.6 72.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.954 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.18 4.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 64.439999999999998 111.142 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.74 65.72 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 72.540000000000006 112.334 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.58 35.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.219999999999999 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -117.72 -1.44 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.510000000000005 110.833 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.93 169.87 12.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.510000000000005 110.875 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.72 162.3 52.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.683 0.754 . . . . 71.540000000000006 110.854 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.732 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.3 Cg_endo -69.8 -11.22 30.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 72.010000000000005 112.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 25.77 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.76 9.76 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.68 -29.54 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.310000000000002 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -69.18 -10.91 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.510000000000005 110.88 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -86.73 -32.26 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 72.450000000000003 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.3 mp -96.96 -28.59 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 111.137 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB2' HD13 ' A' ' 6' ' ' LEU . 91.6 p -90.14 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 50.32 110.859 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 120.51 34.3 0.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 72.340000000000003 112.445 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.2 mtp -64.72 -51.45 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 72.030000000000001 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 106' ' ' VAL . 9.7 p -53.18 -33.28 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.420000000000002 110.881 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -60.57 -20.63 61.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -84.21 -165.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.849 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -121.06 179.29 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.32 52.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 110.88 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 m -98.87 -19.37 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.209999999999994 110.859 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -92.99 -46.93 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 75.209999999999994 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.708 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.5 mt -59.34 -22.58 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.929 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.43 -27.16 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 5' ' ' ILE . 58.8 mm-40 -61.16 -23.79 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 54.520000000000003 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 ' NH2' ' A' ' 69' ' ' ARG . 6.1 mt -77.46 -31.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 64.439999999999998 111.132 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -25.29 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.349999999999994 110.903 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 0.24 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.219999999999999 110.858 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.0 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 64.349999999999994 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.628 HD21 HH11 ' A' ' 69' ' ' ARG . 1.5 mp -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 62.219999999999999 110.947 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -67.42 117.28 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.509999999999998 110.874 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.1 -5.12 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -0.81 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 55.009999999999998 110.878 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.85 21.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 70.510000000000005 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -14.19 62.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 64.109999999999999 110.902 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.87 -20.59 17.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.200000000000003 112.479 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.01 170.19 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 75.349999999999994 110.853 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -118.34 94.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.11 165.09 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.27 -27.43 22.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 44.219999999999999 110.875 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.22 -24.27 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.340000000000003 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 -31.89 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.0 -26.85 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -64.46 -9.37 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.916 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' HG12 ' A' ' 76' ' ' VAL . 10.6 m-85 -100.26 48.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.340000000000003 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 67' ' ' LEU . 73.4 t80 -80.25 -19.8 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 75.030000000000001 110.885 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -99.03 -9.4 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.450000000000003 110.892 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 1.7 57.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 61.109999999999999 110.958 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.628 HH11 HD21 ' A' ' 50' ' ' LEU . 5.4 ptm180 -105.84 -30.21 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' O ' HD11 ' A' ' 15' ' ' LEU . 63.0 m-85 -98.44 -23.82 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.864 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -113.67 -34.01 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t 63.56 65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 61.509999999999998 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.73 -16.19 1.41 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 60.210000000000001 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -176.24 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 74.510000000000005 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -81.24 176.46 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.430000000000007 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG12 ' CE1' ' A' ' 65' ' ' TYR . 4.3 m -95.87 -168.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 64.140000000000001 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.5 mt -104.47 140.58 37.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.010000000000005 110.947 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 80' ' ' SER . 9.6 t -76.74 -179.41 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.420000000000002 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.5 -8.85 54.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.793 ' H ' HG23 ' A' ' 78' ' ' THR . 47.2 t -104.07 -12.05 16.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.82 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.782 ' HG3' HG22 ' A' ' 78' ' ' THR . 2.1 mt-10 -95.02 -61.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.299999999999997 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -51.6 -48.72 63.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.510000000000005 111.123 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -49.86 -46.08 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 55.539999999999999 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.732 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -57.91 -57.69 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 72.329999999999998 111.155 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.32 -51.11 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.530000000000001 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 1.1 tp -63.54 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.240000000000002 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.99 -2.62 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.409999999999997 111.084 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.58 -14.55 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 111.086 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -116.93 -55.84 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 64.400000000000006 111.102 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 3.9 t70 -61.08 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 55.039999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 54.71 14.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.514 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 10.7 m-20 -105.61 -17.78 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.409999999999997 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.3 61.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 61.210000000000001 112.489 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -100.59 -17.85 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.450000000000003 110.895 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.28 19.99 79.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 43.329999999999998 112.496 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.17 133.89 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 54.119999999999997 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 89' ' ' ALA . 35.2 mm -88.25 144.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -119.3 -172.45 15.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 44.43 112.511 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 4.81 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.340000000000003 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.7 2.68 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 64.099999999999994 110.892 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -127.58 -0.42 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.886 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -93.11 -59.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.868 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 52.049999999999997 110.911 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.0 -31.18 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 64.349999999999994 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -81.08 -17.67 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 60.409999999999997 110.86 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.708 HG11 ' CD2' ' A' ' 43' ' ' LEU . 16.7 t -79.89 -77.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.949 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 75.239999999999995 110.851 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.751 0.31 . . . . 75.239999999999995 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -122.26 -4.05 8.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.904 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.4 mp -139.98 -40.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 63.229999999999997 111.098 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.737 HD13 ' OG ' ' A' ' 33' ' ' SER . 10.5 mt -125.4 159.25 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.109999999999999 110.917 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.59 160.4 79.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.675 0.75 . . . . 71.129999999999995 110.854 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 73.299999999999997 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -58.78 -21.13 55.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 61.119999999999997 110.889 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.64 -35.43 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 71.099999999999994 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.2 mt -80.31 -40.34 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.530000000000001 111.142 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 -21.22 63.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 35.109999999999999 111.105 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.12 -23.87 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.319999999999993 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.47 -32.15 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.510000000000005 111.054 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 70' ' ' PHE . 30.4 mt -58.56 -60.11 4.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 41.520000000000003 110.92 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -67.33 -30.43 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.540000000000006 110.857 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.73 -39.49 52.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 64.519999999999996 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -141.54 40.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 63.539999999999999 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -66.23 -33.3 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.140000000000001 110.925 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.32 15.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.547 0.689 . . . . 54.140000000000001 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 150.74 68.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 74.209999999999994 112.321 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 42.83 34.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 70.129999999999995 110.878 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.51 10.94 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.845 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.64 176.26 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.894 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.18 160.2 40.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.400000000000006 110.885 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.5 Cg_endo -69.76 -14.61 36.33 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 74.129999999999995 112.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.7 32.69 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 54.43 110.935 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -133.36 13.29 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.09 -16.81 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.319999999999993 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -84.82 -12.08 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 75.310000000000002 110.874 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -82.95 -38.53 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.109999999999999 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -87.27 -31.32 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.737 ' OG ' HD13 ' A' ' 6' ' ' LEU . 1.4 t -88.55 -68.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.400000000000006 110.875 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.07 29.22 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.5 mtp -59.91 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 70.349999999999994 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 p -54.33 -34.79 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 51.420000000000002 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.91 -15.9 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.864 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.01 -161.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 71.310000000000002 110.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -120.62 159.05 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.349999999999994 110.806 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.554 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.03 -45.75 52.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 71.010000000000005 110.845 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 t -61.27 -36.77 80.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.875 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -73.68 -36.52 65.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.120000000000005 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 106' ' ' VAL . 4.1 mt -74.27 -13.46 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -73.41 -31.5 63.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.36 -49.18 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.109999999999999 110.864 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -52.67 -43.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 111.147 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -38.2 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 41.049999999999997 110.871 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.79 58.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.838 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.7 -13.28 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.122 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.44 -25.56 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.92 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -70.05 118.69 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.32 15.74 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.509999999999998 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.25 0.89 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 51.37 21.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.319999999999993 110.919 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -73.98 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.885 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.36 -11.58 21.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 43.32 112.452 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.23 166.85 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 72.129999999999995 110.875 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.87 89.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.07 175.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 110.893 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.35 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 70.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -61.39 -17.9 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 72.510000000000005 110.831 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.48 -18.06 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.109999999999999 110.872 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -73.91 -28.58 61.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.420000000000002 110.906 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.4 ptpt -60.65 -24.62 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.299999999999997 110.924 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.429 ' CD1' HG12 ' A' ' 76' ' ' VAL . 25.1 m-85 -93.1 22.25 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 53.420000000000002 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 77' ' ' LEU . 51.2 t80 -56.3 -24.98 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 63.140000000000001 110.881 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -87.75 -14.95 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.409999999999997 110.904 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.34 12.44 10.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.049999999999997 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -107.67 -31.16 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.865 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.704 ' HB2' HD21 ' A' ' 15' ' ' LEU . 94.5 m-85 -98.21 -21.58 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.049999999999997 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 2.6 tm-20 -117.44 -31.8 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 54.299999999999997 110.887 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 63.42 55.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.89 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.24 -21.24 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.319999999999993 112.503 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.89 176.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 64.150000000000006 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG3' HD12 ' A' ' 67' ' ' LEU . 2.8 ptp180 -69.34 -174.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.299999999999997 110.876 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -109.58 -168.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 62.219999999999999 111.153 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 67' ' ' LEU . 23.5 mt -104.25 131.83 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.835 HG23 ' H ' ' A' ' 80' ' ' SER . 11.8 t -76.69 -177.03 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 75.150000000000006 111.154 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.42 -11.78 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 42.009999999999998 111.098 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.835 ' H ' HG23 ' A' ' 78' ' ' THR . 44.9 t -105.91 -6.35 18.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.871 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.2 mt-10 -99.26 -59.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.129999999999995 110.919 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.97 -48.46 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.239999999999995 111.162 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -50.08 -46.66 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.439999999999998 110.893 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.646 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.6 m -59.44 -58.46 8.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.310000000000002 111.162 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -52.23 -47.77 65.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 71.530000000000001 110.899 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HA ' HD11 ' A' ' 97' ' ' ILE . 11.6 tp -64.16 -36.58 84.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 64.420000000000002 110.932 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.29 3.0 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 54.149999999999999 111.091 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.92 -16.28 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.129999999999995 111.145 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.17 -56.16 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 55.350000000000001 111.056 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 31.9 t70 -59.05 -71.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.864 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 60.44 10.06 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.874 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.6 m-20 -105.63 -19.76 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.71 16.66 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 54.109999999999999 112.537 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.34 -38.23 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 75.430000000000007 110.871 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.04 13.86 38.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 62.32 112.495 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 126.14 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 71.129999999999995 110.915 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 46.8 mm -74.29 143.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 111.138 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.26 174.91 15.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 72.409999999999997 112.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.37 4.62 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 64.450000000000003 111.098 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -115.0 -19.75 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.872 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -113.09 6.66 17.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 55.119999999999997 110.902 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -88.22 -65.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.319999999999993 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -37.2 41.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 72.219999999999999 110.885 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -32.83 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.894 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.411 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -79.69 -16.46 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 52.32 110.89 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 43' ' ' LEU . 17.5 t -81.55 -77.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.14 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.02 -35.37 79.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.882 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 50.140000000000001 110.896 -179.846 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 72.140000000000001 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -123.37 -2.09 8.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 73.310000000000002 110.865 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 4' ' ' ASP . 5.3 mp -143.15 -47.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' C ' ' A' ' 34' ' ' GLY . 9.2 mt -125.83 159.42 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 34.420000000000002 110.928 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.47 160.42 79.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 110.916 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.02 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.238 . . . . 64.430000000000007 112.347 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -46.83 71.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.812 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 33' ' ' SER . 1.2 m-20 -59.62 -35.09 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.25 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -75.6 -50.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 111.103 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -30.87 48.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.329999999999998 111.089 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.16 -23.93 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.310000000000002 111.121 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -91.16 -45.04 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 50.409999999999997 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 71' ' ' GLU . 38.3 mt -57.67 -50.45 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.319999999999993 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -71.52 -31.48 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.129999999999995 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -46.13 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.8 m -136.05 42.61 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.25 -38.46 71.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 61.310000000000002 110.909 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.95 148.55 13.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 31.199999999999999 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.08 69.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 71.230000000000004 112.374 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 60.06 18.51 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.329999999999998 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.95 -12.17 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.879 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.34 166.85 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 63.130000000000003 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.22 161.18 35.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.687 0.756 . . . . 61.509999999999998 110.852 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.724 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.77 -11.3 30.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 72.530000000000001 112.352 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.28 32.65 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.891 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -127.93 20.16 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.905 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.49 7.06 8.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -115.55 -10.35 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.150000000000006 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -94.64 -25.46 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 71.129999999999995 110.93 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.1 mp -99.47 -25.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 65.030000000000001 111.158 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 19.8 p -100.35 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.98 37.99 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 64.299999999999997 112.555 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 43' ' ' LEU . 46.7 mtp -66.01 -48.68 70.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 72.299999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 p -54.15 -33.3 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.83 -13.5 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 53.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -93.13 154.85 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 110.884 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -74.99 160.54 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 60.340000000000003 110.838 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.58 -29.32 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.450000000000003 110.919 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -74.24 -33.5 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 61.219999999999999 110.842 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -70.07 -48.0 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 62.549999999999997 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.722 ' CD2' HG11 ' A' ' 106' ' ' VAL . 3.7 mt -62.32 -20.91 64.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -70.7 -21.24 62.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.88 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB2' HD11 ' A' ' 5' ' ' ILE . 28.0 mm-40 -61.51 -46.57 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.209999999999994 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.7 mp -58.93 -36.85 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.219999999999999 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.33 -37.59 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -10.91 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.439999999999998 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.58 -14.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 63.420000000000002 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -90.16 -25.72 20.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.230000000000004 110.894 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.29 118.77 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 62.409999999999997 110.867 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.52 8.45 31.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.430000000000007 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -0.55 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 110.873 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 52.81 20.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.109999999999999 110.895 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -69.8 -25.56 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.329999999999998 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.72 10.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 70.409999999999997 112.473 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -133.28 166.87 21.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 72.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.67 95.98 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.189 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.66 176.38 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.9 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.59 -33.5 74.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.889 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.85 -17.99 53.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 75.439999999999998 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.85 -19.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 71.120000000000005 110.87 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -71.94 -29.11 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 63.140000000000001 110.921 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 7.3 ptpt -61.94 -24.48 67.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 70.019999999999996 110.934 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 76' ' ' VAL . 23.4 m-85 -92.13 21.61 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.948 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.6 t80 -56.45 -26.32 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 65.109999999999999 110.923 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.29 -12.1 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.120000000000005 110.897 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.17 13.24 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.140000000000001 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -109.85 -31.1 7.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.848 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.73 -23.5 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.9 tp10 -116.07 -29.34 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 45.350000000000001 110.839 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 t 63.45 57.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.865 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.52 -18.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.240000000000002 112.461 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 179.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 61.229999999999997 111.055 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.04 175.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -98.58 -167.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 67' ' ' LEU . 46.0 mt -103.76 136.95 42.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 64.409999999999997 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.76 -177.94 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 72.439999999999998 111.158 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -9.58 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 55.350000000000001 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.805 ' H ' HG23 ' A' ' 78' ' ' THR . 4.9 t -108.3 -7.6 15.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 55.240000000000002 110.903 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.728 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.3 mm-40 -95.67 -60.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 75.150000000000006 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -52.9 -48.73 67.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 72.5 111.168 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -49.69 -47.74 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.724 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.8 m -55.53 -56.86 15.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 71.439999999999998 111.117 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -52.21 -47.03 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.83 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.666 HD21 ' HA2' ' A' ' 95' ' ' GLY . 32.4 tp -63.87 -34.7 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.040000000000006 110.911 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.45 5.99 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 111.087 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.93 -16.04 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.606 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.99 -55.96 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 111.126 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.602 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -62.68 -69.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 73.150000000000006 110.915 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 56.89 15.65 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -115.88 -11.18 11.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 54.329999999999998 110.899 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.37 45.13 49.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 71.010000000000005 112.523 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.49 -16.83 14.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 62.210000000000001 110.844 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.666 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 68.03 10.79 59.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 42.329999999999998 112.492 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 123.57 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 74.340000000000003 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.602 HD13 ' OD2' ' A' ' 90' ' ' ASP . 8.3 mm -77.0 150.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.120000000000005 111.127 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.76 -156.45 7.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 42.109999999999999 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.69 37.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.722 0.296 . . . . 64.239999999999995 111.114 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -116.1 -2.93 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.319999999999993 110.896 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.506 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -131.67 6.95 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.510000000000005 110.906 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -95.84 -67.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 72.109999999999999 110.906 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -38.25 50.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.1 -32.81 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.340000000000003 110.84 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.606 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -79.56 -15.88 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.450000000000003 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.722 HG11 ' CD2' ' A' ' 43' ' ' LEU . 11.9 t -84.6 -78.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.120000000000005 111.146 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.48 -35.4 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.219999999999999 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.858 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.753 0.311 . . . . 72.040000000000006 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -124.25 -4.42 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.837 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.61 -64.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 111.067 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.735 HD13 ' OG ' ' A' ' 33' ' ' SER . 22.7 mt -97.01 157.69 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -77.16 161.23 73.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 62.219999999999999 110.882 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 64.310000000000002 112.329 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 110.836 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.29 -34.91 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 71.140000000000001 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 17.4 mt -76.99 -52.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 65.239999999999995 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.84 -22.76 49.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 111.14 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.79 -28.82 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 61.509999999999998 111.11 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -83.67 -27.11 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.119999999999997 111.095 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 70' ' ' PHE . 14.0 mt -69.7 -55.38 10.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 73.540000000000006 110.925 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -24.99 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 110.835 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.67 -52.12 57.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.200000000000003 110.866 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -134.33 39.69 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -51.94 -36.94 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.530000000000001 110.909 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.49 149.78 7.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 74.400000000000006 111.097 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.43 53.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 53.210000000000001 112.348 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.84 28.48 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 62.420000000000002 110.86 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.55 8.09 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.893 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -132.82 -174.94 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 71.430000000000007 110.887 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 161.16 29.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.43 110.876 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HB2' ' HE1' ' A' ' 105' ' ' MET . 53.9 Cg_endo -69.74 -19.54 36.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.244 . . . . 63.539999999999999 112.362 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -116.13 30.91 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 53.549999999999997 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -134.94 15.63 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.129999999999995 110.858 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -111.96 -18.17 12.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 63.310000000000002 110.89 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -76.03 -16.54 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.349999999999994 110.835 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -80.7 -37.07 31.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.4 mp -91.15 -31.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.157 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.735 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.8 t -87.8 -70.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 31.399999999999999 110.841 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.717 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.53 28.41 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 63.329999999999998 112.513 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HD21 ' A' ' 43' ' ' LEU . 41.9 mtp -63.61 -49.14 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 75.519999999999996 110.892 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 106' ' ' VAL . 84.2 p -53.81 -35.7 61.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.219999999999999 110.828 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -63.98 -15.29 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.938 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.78 156.18 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 54.329999999999998 110.893 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 t -74.25 163.7 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.030000000000001 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -16.48 57.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 73.219999999999999 110.859 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -89.54 -23.58 21.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 71.099999999999994 110.861 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -80.94 -35.51 32.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.019999999999996 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.64 -19.45 61.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 4.1 mtmt -71.4 -28.39 63.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.430000000000007 110.903 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.05 -47.72 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 63.409999999999997 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.2 mp -61.66 -28.21 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 60.240000000000002 111.129 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.409999999999997 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.68 1.09 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.846 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ILE . 21.8 mm -112.11 -7.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 69' ' ' ARG . 3.6 mp -96.73 -26.65 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.450000000000003 110.877 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.65 117.27 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 64.329999999999998 110.895 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.25 12.27 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.7 2.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.822 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 50.71 21.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 110.912 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -71.93 -16.79 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 65.129999999999995 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.59 -11.32 42.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.756 . . . . 43.420000000000002 112.522 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.34 164.41 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 70.019999999999996 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.1 mt -118.63 95.27 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 51.399999999999999 111.162 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.27 175.06 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.119999999999997 110.9 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -60.48 -33.95 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.76 -18.37 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 61.140000000000001 110.872 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -116.38 -15.82 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.530000000000001 110.867 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -76.43 -29.86 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.922 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -62.21 -28.38 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.299999999999997 110.899 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -76.57 22.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.942 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 7.2 t80 -53.79 -41.2 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 75.040000000000006 110.906 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -78.71 -11.45 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.040000000000006 110.915 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.62 4.93 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.219999999999999 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' CZ ' HD21 ' A' ' 50' ' ' LEU . 30.9 mtp180 -102.18 -42.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 70.109999999999999 110.843 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.635 ' O ' HD11 ' A' ' 15' ' ' LEU . 56.0 m-85 -90.87 -26.91 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -103.34 -29.77 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.894 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t 58.18 62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 32.420000000000002 110.838 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.72 -12.34 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 74.420000000000002 112.474 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 71' ' ' GLU . . . -59.79 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 72.040000000000006 111.111 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -75.87 176.16 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 63.030000000000001 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 1.7 m -104.41 151.65 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 70.439999999999998 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 79.1 mt -55.77 140.22 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.040000000000006 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.845 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -77.31 -175.06 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 65.409999999999997 111.153 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.95 -4.87 37.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.510000000000005 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.845 ' H ' HG23 ' A' ' 78' ' ' THR . 38.0 t -113.57 -6.61 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 63.420000000000002 110.872 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 78' ' ' THR . 48.0 mm-40 -95.28 -63.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -48.33 -47.87 36.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 62.229999999999997 111.126 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -49.48 -46.66 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.420000000000002 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 26' ' ' PRO . 26.9 m -55.62 -57.89 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 62.240000000000002 111.15 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CD1' HD11 ' A' ' 63' ' ' LEU . 11.3 t80 -52.98 -44.36 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 75.349999999999994 110.945 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.554 HD11 ' OD2' ' A' ' 90' ' ' ASP . 30.2 tp -63.25 -26.7 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 71.540000000000006 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.4 3.21 55.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 70.0 111.095 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.65 -17.15 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.319999999999993 111.12 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.6 -53.85 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.409999999999997 111.1 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.554 ' OD2' HD11 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -58.11 -67.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.929 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 54.56 15.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.019999999999996 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -125.05 -18.14 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 61.200000000000003 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.48 44.19 22.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 70.510000000000005 112.502 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -101.14 -28.56 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.837 0.351 . . . . 74.040000000000006 110.855 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.06 10.61 68.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 72.439999999999998 112.482 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.47 128.67 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 64.040000000000006 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.7 mm -83.17 146.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 64.230000000000004 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.55 175.58 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 75.25 112.468 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.43 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -80.05 2.26 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 75.109999999999999 111.092 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -108.76 -9.28 15.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.010000000000005 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.78 9.88 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 72.430000000000007 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -91.84 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 71.129999999999995 110.851 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.41 55.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 70.010000000000005 110.944 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.9 -31.96 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.150000000000006 110.888 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.57 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.5 ppp? -82.46 -11.96 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.88 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.683 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.9 t -88.06 -76.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.41 -35.09 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 110.863 -179.776 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.33 . . . . 70.5 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -120.79 -4.54 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 110.896 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.42 HD11 ' HB2' ' A' ' 45' ' ' GLU . 4.9 mp -141.27 -42.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 70.439999999999998 111.111 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.631 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.0 mt -129.17 159.43 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 160.83 79.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.714 0.768 . . . . 74.150000000000006 110.803 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 64.200000000000003 112.345 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 p -53.51 -46.29 70.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.549999999999997 110.871 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.31 -35.08 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.409999999999997 110.835 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.23 -52.49 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 65.239999999999995 111.146 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -23.19 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 54.32 111.062 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 -23.87 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.009999999999998 111.06 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -93.36 -27.36 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 53.299999999999997 111.08 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 70' ' ' PHE . 43.7 mt -69.51 -51.69 33.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 65.409999999999997 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -70.48 -25.91 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 110.883 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.1 -47.76 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.829 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.18 43.61 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 72.439999999999998 110.911 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.11 -32.19 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.43 3.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 63.509999999999998 111.111 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.54 48.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 71.530000000000001 112.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 t0 57.57 21.97 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.893 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.11 -36.86 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 70.400000000000006 110.885 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.48 166.62 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.86 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 151.23 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 73.420000000000002 110.886 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.584 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.76 -13.7 35.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 73.310000000000002 112.346 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 21.72 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 110.908 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.38 17.14 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.109999999999999 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -118.27 -16.55 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.129999999999995 110.877 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -86.19 -9.64 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.868 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.25 -33.27 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 71.549999999999997 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -92.76 -26.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.631 ' OG ' HD13 ' A' ' 6' ' ' LEU . 6.1 t -96.53 -69.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.843 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.85 31.8 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 64.209999999999994 112.452 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.541 ' O ' HD21 ' A' ' 43' ' ' LEU . 54.3 mtp -62.41 -51.17 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 72.030000000000001 110.862 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 106' ' ' VAL . 80.4 p -54.26 -33.74 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 41.109999999999999 110.848 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.94 -14.6 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 72.349999999999994 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.33 -163.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -120.69 160.05 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.39 -48.23 56.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.520000000000003 110.853 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -58.68 -35.16 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 53.200000000000003 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.31 -48.66 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 110.924 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 HG11 ' A' ' 106' ' ' VAL . 4.5 mt -62.6 -18.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 51.340000000000003 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -70.2 -25.6 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.918 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB2' HD11 ' A' ' 5' ' ' ILE . 27.5 mt-10 -61.05 -46.23 91.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 71.310000000000002 110.905 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.9 mt -53.63 -39.19 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.400000000000006 111.142 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -34.76 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.15 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 72.5 110.893 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mm -103.1 -18.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 65.530000000000001 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.83 -25.68 20.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.916 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.18 118.23 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.875 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -3.32 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 110.92 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -0.52 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.150000000000006 110.869 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.69 21.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.94 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -16.06 63.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.319999999999993 110.846 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.28 -19.91 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.409999999999997 112.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -132.18 169.79 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 71.420000000000002 110.854 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 mt -118.39 104.03 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.019999999999996 111.125 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.53 162.09 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.5 -30.19 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.26 -26.2 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 65.439999999999998 110.895 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -111.06 -14.74 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.89 -29.79 61.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.909 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -61.68 -31.58 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.340000000000003 110.94 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.15 16.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.913 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -54.97 -32.38 61.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 64.209999999999994 110.935 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 77' ' ' LEU . 1.9 mt -81.78 -9.27 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 75.239999999999995 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.8 5.33 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -104.82 -30.82 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 110.854 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.525 ' O ' HD11 ' A' ' 15' ' ' LEU . 51.6 m-85 -103.97 -15.58 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.1 tp10 -117.31 -28.43 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.210000000000001 110.905 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m 51.65 63.97 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 61.399999999999999 110.861 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.24 -16.0 1.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 54.350000000000001 112.448 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.14 -179.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 75.400000000000006 111.061 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm85 -80.95 179.71 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.36 150.59 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 111.134 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 67' ' ' LEU . 72.9 mt -55.6 135.79 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.828 HG23 ' H ' ' A' ' 80' ' ' SER . 10.3 t -76.64 -178.51 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.115 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -10.83 55.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 111.101 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.828 ' H ' HG23 ' A' ' 78' ' ' THR . 26.1 t -108.74 -4.57 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 62.240000000000002 110.869 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.741 ' HG3' HG22 ' A' ' 78' ' ' THR . 3.8 mm-40 -99.95 -59.46 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 63.009999999999998 111.115 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -54.65 -46.68 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 71.219999999999999 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.584 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -58.06 -54.56 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 111.136 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.74 -47.11 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.903 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 21.8 tp -64.07 -38.02 89.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 75.450000000000003 110.911 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.34 -1.64 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 111.087 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.96 -18.21 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 63.299999999999997 111.099 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.89 -56.01 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 111.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 15.8 t70 -60.33 -71.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 44.130000000000003 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 46.54 24.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 94' ' ' ASP . 22.4 p30 -121.78 -11.99 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 110.901 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.83 54.29 3.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 75.120000000000005 112.512 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' CG ' ' OD1' ' A' ' 92' ' ' ASP . 66.4 m-20 -125.43 -15.49 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 71.439999999999998 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 63.75 12.94 49.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 71.230000000000004 112.484 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 136.36 26.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 64.340000000000003 110.889 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 89' ' ' ALA . 34.2 mm -87.4 147.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 53.439999999999998 111.12 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.83 -178.78 15.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.230000000000004 112.477 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.86 7.46 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 60.32 111.088 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -119.66 -5.82 10.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -129.21 3.01 5.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -86.51 -61.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -37.54 48.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.319999999999993 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -30.35 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.409999999999997 110.893 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.509 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -83.41 -16.51 45.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.944 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.794 HG11 HD22 ' A' ' 43' ' ' LEU . 13.9 t -83.14 -78.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.13 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.34 -35.47 80.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 53.539999999999999 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 53.350000000000001 110.881 -179.793 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.766 0.317 . . . . 61.240000000000002 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 5' ' ' ILE . 2.6 t70 -121.22 -4.11 9.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 64.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' A' ' 4' ' ' ASP . 5.3 mp -139.96 -47.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 64.540000000000006 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 33' ' ' SER . 15.8 mt -125.81 159.05 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 70.030000000000001 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.5 160.89 78.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.704 0.764 . . . . 73.25 110.845 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 74.239999999999995 112.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 p -53.85 -46.33 71.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 54.340000000000003 110.898 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -59.47 -35.11 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 54.329999999999998 110.855 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -75.95 -52.96 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 111.146 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB1' HH12 ' A' ' 16' ' ' ARG . . . -56.54 -22.68 34.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 55.100000000000001 111.136 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.67 35.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 70.140000000000001 111.093 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.24 -27.21 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 111.113 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 71' ' ' GLU . 35.1 mt -69.57 -51.99 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.507 HH12 ' HB1' ' A' ' 12' ' ' ALA . 52.7 mtt85 -72.53 -26.11 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.887 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.03 -49.37 71.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 75.010000000000005 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.0 m -131.36 38.01 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.72 -36.52 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.400000000000006 110.929 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.85 153.3 4.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 61.240000000000002 111.135 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 149.82 67.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 71.040000000000006 112.348 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 43.01 34.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.420000000000002 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 m -113.29 -25.24 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.230000000000004 110.853 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.56 171.17 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 162.21 59.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 73.349999999999994 110.888 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.573 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.79 -10.71 29.19 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 74.040000000000006 112.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -118.7 2.06 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.911 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 32' ' ' ILE . 31.0 mmtp -102.9 7.34 39.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.891 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 9.3 t80 -106.9 -28.45 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.847 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.76 -8.06 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.883 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -88.36 -39.97 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.549999999999997 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.0 mp -86.7 -24.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.530000000000001 111.106 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.653 ' HB2' HD13 ' A' ' 6' ' ' LEU . 83.6 p -96.89 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.842 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.01 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 54.439999999999998 112.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.526 ' O ' HD21 ' A' ' 43' ' ' LEU . 35.3 mtp -72.98 -51.19 19.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.120000000000005 110.883 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.618 ' HA ' HG12 ' A' ' 106' ' ' VAL . 51.9 p -54.02 -33.24 56.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 52.329999999999998 110.885 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.31 -14.86 61.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 71.120000000000005 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -87.31 -164.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.864 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -120.66 155.83 33.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 64.239999999999995 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.44 -31.12 5.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 73.400000000000006 110.866 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -70.9 -43.77 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.929 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.78 -33.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.140000000000001 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CD2' HG11 ' A' ' 106' ' ' VAL . 11.2 mt -72.39 -17.07 61.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.907 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -72.22 -32.69 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.902 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -55.04 -48.0 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.2 mt -53.47 -43.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.310000000000002 111.12 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -38.33 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.888 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -14.01 60.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 110.895 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG22 ' HE ' ' A' ' 69' ' ' ARG . 26.0 mm -99.6 -14.56 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.127 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.87 -25.07 19.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.049999999999997 110.923 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -70.76 99.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 71.510000000000005 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 7.77 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.843 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.46 -12.74 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.85 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 59.85 16.16 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.209999999999994 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -28.45 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.879 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.6 -19.03 5.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 62.130000000000003 112.529 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.23 171.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -115.43 77.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 111.161 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.94 168.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.847 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.55 -28.95 70.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.41 -22.52 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.6 -29.84 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.886 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.19 -28.99 67.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 53.409999999999997 110.946 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -60.26 -25.84 65.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.519999999999996 110.897 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD1' HG12 ' A' ' 76' ' ' VAL . 90.7 m-85 -95.66 48.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.25 110.921 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -83.18 -24.35 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 74.430000000000007 110.913 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.2 mt -88.29 -3.5 58.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 53.439999999999998 110.928 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.67 0.38 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 65.310000000000002 110.933 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HE ' HG22 ' A' ' 49' ' ' ILE . 5.3 mmm180 -101.03 -30.86 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.040000000000006 110.862 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.425 ' C ' HD11 ' A' ' 15' ' ' LEU . 74.7 m-85 -99.23 -25.8 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.894 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.57 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -107.31 -34.76 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.540000000000006 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t 62.32 60.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.873 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.84 -16.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 42.420000000000002 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -176.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 51.530000000000001 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -83.85 -179.17 7.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.409999999999997 110.85 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.4 m -96.26 -167.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.420000000000002 111.156 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 82' ' ' THR . 60.0 mt -104.46 157.3 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.87 HG23 ' H ' ' A' ' 80' ' ' SER . 13.1 t -104.88 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.510000000000005 111.179 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -13.19 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.124 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.87 ' H ' HG23 ' A' ' 78' ' ' THR . 41.5 t -101.49 -2.4 30.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 70.019999999999996 110.856 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.9 mt-10 -113.58 -63.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.340000000000003 110.857 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.68 -48.22 63.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 111.106 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -56.79 -45.92 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 74.010000000000005 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 26' ' ' PRO . 36.7 m -60.21 -56.09 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.229999999999997 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.42 -48.63 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.859 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.542 ' HA ' HD11 ' A' ' 97' ' ' ILE . 2.2 tp -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 62.340000000000003 110.941 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.61 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 41.310000000000002 111.098 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB3' ' HE1' ' A' ' 105' ' ' MET . . . -111.97 -15.93 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 61.350000000000001 111.138 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -119.09 -55.55 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.510000000000005 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 8.4 t70 -59.96 -70.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 110.855 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 55.89 13.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.420000000000002 110.835 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 5.7 m-20 -104.67 -18.91 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 61.350000000000001 110.921 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.97 24.2 55.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 74.430000000000007 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.39 -15.69 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 71.019999999999996 110.904 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.14 -5.25 55.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 63.240000000000002 112.483 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -117.17 133.68 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 75.109999999999999 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.664 HD12 ' HB3' ' A' ' 89' ' ' ALA . 21.2 mm -87.29 144.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.5 111.095 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -117.7 156.85 15.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 74.150000000000006 112.464 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.36 -7.59 32.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 43.5 111.085 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 -0.77 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.240000000000002 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -125.43 -3.51 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.915 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.44 -57.84 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.519999999999996 110.861 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' NE2' ' HB2' ' A' ' 40' ' ' SER . 1.9 pt20 -51.84 -36.52 48.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 63.409999999999997 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -56.09 -28.13 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 70.150000000000006 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 88' ' ' ALA . 1.5 ppp? -86.52 -17.92 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.109999999999999 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.778 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -80.79 -78.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 32.509999999999998 111.117 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.17 -35.52 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 61.020000000000003 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.823 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.785 0.326 . . . . 71.340000000000003 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.36 -11.84 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.848 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.06 -61.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 60.43 111.168 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.712 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.9 mt -97.33 155.77 16.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.919 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.44 159.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 33.509999999999998 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -49.56 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 71.450000000000003 112.356 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -57.2 -31.55 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.831 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -73.12 -35.2 66.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 63.439999999999998 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.48 -51.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 111.089 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.76 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 64.310000000000002 111.12 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.66 -26.02 45.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 62.299999999999997 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -86.71 -44.49 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 52.439999999999998 111.087 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 71' ' ' GLU . 15.5 mt -59.28 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 55.43 110.926 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -71.51 -31.72 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.827 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.14 -44.16 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.329999999999998 110.937 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 m -137.25 42.69 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.119999999999997 110.922 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.52 -35.9 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.030000000000001 110.906 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 145.53 17.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.693 . . . . 64.420000000000002 111.152 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.88 68.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.274 . . . . 62.329999999999998 112.345 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.6 t0 61.66 17.24 8.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 55.5 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -126.83 1.5 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.17 165.93 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.519999999999996 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.39 147.73 7.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.66 0.743 . . . . 45.299999999999997 110.845 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.542 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.73 -32.84 17.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 51.509999999999998 112.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 24.62 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 62.240000000000002 110.937 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -135.16 18.59 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.895 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.79 -3.25 11.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.019999999999996 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -98.86 -12.29 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.85 -28.8 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.540000000000006 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.9 mp -99.42 -30.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.111 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.712 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.5 t -89.09 -68.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.519999999999996 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.582 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.65 39.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 72.430000000000007 112.46 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HD11 ' A' ' 6' ' ' LEU . 42.7 mtp -72.8 -52.53 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 60.310000000000002 110.886 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' HG12 ' A' ' 106' ' ' VAL . 17.2 p -54.03 -33.76 58.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 74.319999999999993 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.04 -16.87 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 65.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -86.97 -164.53 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 63.539999999999999 110.873 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -121.25 159.48 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 51.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.05 -28.87 41.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 51.130000000000003 110.811 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.2 m -77.32 -28.61 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 61.350000000000001 110.844 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -85.56 -34.51 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.230000000000004 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.37 -40.89 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -19.57 40.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 75.239999999999995 110.897 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.66 -45.72 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 51.329999999999998 110.925 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -49.78 -34.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 73.140000000000001 111.108 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -40.49 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -14.41 51.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.340000000000003 110.895 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 49' ' ' ILE . 34.7 mm -99.28 -11.05 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.010000000000005 111.108 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -96.66 -26.93 15.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 70.129999999999995 110.894 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.47 119.57 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 18.49 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.53 6.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.913 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 47.95 23.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.2 p -71.12 -14.67 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 61.229999999999997 110.87 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.38 -10.36 56.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 54.32 112.447 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -142.67 167.66 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.010000000000005 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 mt -118.05 102.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 74.430000000000007 111.129 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.57 164.44 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.922 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.34 -30.16 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.74 -23.31 64.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.539999999999999 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -112.94 -17.86 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.65 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.07 -31.22 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 110.916 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.8 ptpt -63.28 -27.11 69.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.906 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CE1' HG12 ' A' ' 76' ' ' VAL . 14.2 m-85 -92.93 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.109999999999999 110.93 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . 34.2 t80 -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 75.219999999999999 110.904 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 77' ' ' LEU . 1.4 mt -84.51 -8.31 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.915 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.2 -1.05 54.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -104.22 -29.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.519999999999996 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CB ' HD11 ' A' ' 15' ' ' LEU . 16.0 m-85 -100.04 -15.0 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 tp10 -123.18 -34.92 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 73.430000000000007 110.881 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m 61.47 69.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 145.17 -12.91 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 43.439999999999998 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.79 -177.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 71.430000000000007 111.083 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.73 -178.46 6.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.019999999999996 110.866 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.0 m -98.34 -169.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 67' ' ' LEU . 35.7 mt -104.58 133.65 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -77.18 -178.12 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 44.439999999999998 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.71 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.409999999999997 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 11.0 t -102.78 -9.1 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.319999999999993 110.827 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.651 ' HG3' HG22 ' A' ' 78' ' ' THR . 42.2 mt-10 -99.43 -61.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.530000000000001 110.922 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.76 -49.35 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 111.157 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -51.49 -45.96 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.907 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.7 m -55.69 -54.11 48.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.134 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.04 -50.68 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 16.5 tp -63.8 -35.78 81.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 75.230000000000004 110.928 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.9 4.65 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.120000000000005 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.19 -15.7 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.75 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.98 -55.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.48 -70.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.239999999999995 110.912 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 56.68 15.24 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.85 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.4 -10.57 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.1 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 60.039999999999999 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.05 -39.22 23.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 70.239999999999995 110.871 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.82 14.89 60.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 24.43 112.445 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 120.24 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 70.219999999999999 110.844 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.572 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.5 mm -70.75 149.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 55.350000000000001 111.12 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.85 -157.22 8.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 73.329999999999998 112.504 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.52 5.24 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 72.030000000000001 111.091 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.77 -8.62 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 55.409999999999997 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.0 1.81 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -87.71 -68.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.400000000000006 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -50.94 -37.12 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 110.904 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.14 -31.61 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 61.439999999999998 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -82.19 -15.62 52.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 54.310000000000002 110.902 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 43' ' ' LEU . 15.5 t -83.27 -78.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 111.141 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.11 -35.11 76.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.340000000000003 110.855 -179.776 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.771 0.319 . . . . 62.229999999999997 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.49 -10.46 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.120000000000005 110.846 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.7 -38.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 64.200000000000003 111.147 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.669 HD13 ' OG ' ' A' ' 33' ' ' SER . 6.7 mt -136.55 158.35 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 110.933 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.482 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.21 159.24 80.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 62.009999999999998 110.895 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -30.5 22.09 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 62.420000000000002 112.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -70.35 -47.18 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.299999999999997 110.877 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.14 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 61.140000000000001 110.858 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 7' ' ' SER . 18.7 mt -80.41 -51.99 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.019999999999996 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.62 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 111.066 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.17 59.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 64.219999999999999 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -84.91 -45.8 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 62.409999999999997 111.084 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 ' C ' ' A' ' 70' ' ' PHE . 14.0 mt -56.82 -49.69 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.883 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -31.85 67.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.842 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.28 -40.89 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.519999999999996 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.59 43.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 62.439999999999998 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.35 -35.15 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.329999999999998 110.907 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.86 152.69 5.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 53.340000000000003 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.84 49.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 73.310000000000002 112.351 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.4 t0 52.06 28.47 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.019999999999996 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -115.74 1.15 13.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.88 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -124.64 -177.12 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.55 161.21 32.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.698 0.761 . . . . 61.149999999999999 110.82 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.736 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.88 -21.76 32.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 72.439999999999998 112.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 33.22 5.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.299999999999997 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.48 17.54 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.219999999999999 110.886 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.13 -9.37 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.909 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.85 -16.84 29.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 62.219999999999999 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.33 -38.16 27.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 72.319999999999993 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.03 -30.87 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 60.439999999999998 111.121 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.669 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.9 t -90.94 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 63.200000000000003 110.903 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.18 41.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 71.129999999999995 112.485 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.58 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.9 mtp -73.51 -50.54 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 61.329999999999998 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -33.67 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.53 -19.37 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -85.46 -160.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.439999999999998 110.891 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -120.32 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.877 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -6.0 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.86 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -99.93 -15.12 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 61.520000000000003 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -97.57 -36.2 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.932 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.889 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.76 -21.55 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -70.35 -26.1 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 110.898 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.510000000000005 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 50' ' ' LEU . 2.7 mp -54.61 -39.32 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.010000000000005 111.117 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -38.43 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -14.08 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.83 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG22 HH21 ' A' ' 69' ' ' ARG . 23.7 mm -98.97 -14.51 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.098 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.16 -25.58 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 51.439999999999998 110.963 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -67.36 93.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 63.530000000000001 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.87 6.25 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 63.229999999999997 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.11 -13.53 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.510000000000005 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.0 16.29 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 51.229999999999997 110.897 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -37.89 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 110.881 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.21 -12.43 3.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 72.310000000000002 112.454 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.27 168.72 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 75.129999999999995 110.878 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 50' ' ' LEU . 32.5 mt -115.76 77.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 54.310000000000002 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 175.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -65.09 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.219999999999999 110.859 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.01 -21.34 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 61.299999999999997 110.818 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.6 -29.32 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.668 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 52.109999999999999 110.902 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.9 ptpt -48.71 -28.98 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.415 ' CD1' HG12 ' A' ' 76' ' ' VAL . 54.9 m-85 -93.4 44.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 74.540000000000006 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 67' ' ' LEU . 35.6 t80 -79.34 -30.92 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 63.200000000000003 110.864 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 67' ' ' LEU . 4.3 mt -82.83 -4.07 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.299999999999997 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 2.03 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.049999999999997 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.45 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -103.5 -31.14 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 51.119999999999997 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' C ' HD11 ' A' ' 15' ' ' LEU . 32.7 m-85 -97.28 -22.52 16.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.17 -34.91 5.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 65.329999999999998 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 64.38 60.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 32.229999999999997 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.72 -15.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 53.32 112.477 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.88 -178.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.120000000000005 111.076 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -77.71 -179.0 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.912 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.7 m -100.48 -166.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 60.409999999999997 111.169 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.553 ' HB2' HG23 ' A' ' 82' ' ' THR . 44.2 mt -104.11 137.19 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.896 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 10.6 t -76.4 -178.7 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 63.299999999999997 111.153 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.36 -9.15 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.145 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 13.6 t -105.31 -8.53 18.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 63.409999999999997 110.814 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 78' ' ' THR . 72.9 mm-40 -99.14 -60.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.854 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.41 -49.02 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.409999999999997 111.128 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 74.409999999999997 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.736 HG22 ' HG3' ' A' ' 26' ' ' PRO . 30.6 m -57.02 -56.9 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 55.240000000000002 111.129 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -51.03 -45.83 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 75.400000000000006 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 97' ' ' ILE . 5.9 tp -66.78 -36.2 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.939 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.29 3.3 15.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 51.310000000000002 111.097 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.59 -15.71 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 111.146 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.88 -54.93 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.409999999999997 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 29.8 t70 -58.65 -71.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.897 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 59.76 9.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 110.845 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.5 m-20 -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.519999999999996 110.896 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.437 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.8 15.65 74.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 51.420000000000002 112.49 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -83.58 -33.04 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 73.420000000000002 110.853 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 96.87 -8.66 65.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.515 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 132.63 55.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 62.310000000000002 110.856 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 22.4 mm -79.42 143.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 111.138 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.51 157.37 15.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 61.109999999999999 112.516 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.13 -4.53 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 42.439999999999998 111.12 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -101.84 -20.29 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.530000000000001 110.926 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -113.78 -3.94 13.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.894 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.455 ' HD1' HG21 ' A' ' 97' ' ' ILE . 79.1 t80 -72.35 -68.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 110.906 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -34.58 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.310000000000002 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.97 -28.57 57.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.908 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.7 ppp? -83.94 -18.02 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.889 HG11 HD22 ' A' ' 43' ' ' LEU . 16.6 t -79.71 -77.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 111.143 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.84 -35.15 79.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.88 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 54.409999999999997 110.887 -179.838 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.33 . . . . 74.140000000000001 111.125 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.25 -4.41 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 63.130000000000003 110.83 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.5 -39.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 65.25 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.661 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.9 mt -130.8 158.53 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.26 160.44 77.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 73.120000000000005 110.853 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.723 2.282 . . . . 55.409999999999997 112.335 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 p -53.15 -46.53 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 74.230000000000004 110.839 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.81 -34.81 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.922 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.53 -51.02 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 111.149 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -24.54 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 111.098 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.52 -22.61 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.209999999999994 111.101 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.697 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -92.88 -45.39 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 71.109999999999999 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD11 ' C ' ' A' ' 70' ' ' PHE . 36.0 mt -54.83 -50.85 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -71.4 -31.87 67.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.846 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.62 -39.91 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 m -139.71 45.46 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.200000000000003 110.848 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.48 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.58 147.03 8.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 53.409999999999997 111.058 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 141.21 44.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 72.400000000000006 112.372 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 60.45 18.45 8.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 64.299999999999997 110.853 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.15 18.11 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.209999999999994 110.868 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.89 162.91 27.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 71.030000000000001 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.05 160.7 61.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 70.109999999999999 110.85 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.74 -15.15 37.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 71.450000000000003 112.372 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 12.55 24.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.875 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -105.88 15.79 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 63.210000000000001 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.37 -3.3 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.871 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -102.93 -11.08 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 63.43 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.61 -30.07 15.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 71.209999999999994 110.908 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.697 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -98.47 -26.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.409999999999997 111.123 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.661 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.6 t -96.22 -69.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.04 30.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 41.340000000000003 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.521 ' O ' HD21 ' A' ' 43' ' ' LEU . 60.4 mtp -60.41 -53.53 56.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 73.109999999999999 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.632 ' HA ' HG12 ' A' ' 106' ' ' VAL . 6.6 m -53.98 -33.56 57.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 70.430000000000007 110.875 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -63.99 -15.94 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 74.150000000000006 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -85.84 -161.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 110.837 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.28 -30.03 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.530000000000001 110.857 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -74.51 -36.98 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.010000000000005 110.876 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -75.62 -31.1 59.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 61.329999999999998 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.754 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.7 mt -76.89 -14.66 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 62.039999999999999 110.919 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -69.88 -42.45 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 63.119999999999997 110.85 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -49.85 -47.12 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 63.240000000000002 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.8 mt -51.03 -45.85 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 64.019999999999996 111.117 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -36.85 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.409999999999997 110.904 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.868 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.414 HG22 ' HE ' ' A' ' 69' ' ' ARG . 21.9 mm -99.45 -12.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 64.25 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.13 -24.86 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.120000000000005 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.64 94.92 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 72.540000000000006 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 7.21 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 60.310000000000002 110.876 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -122.86 -13.78 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.420000000000002 110.86 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 60.97 15.6 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.919 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -37.08 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 61.409999999999997 110.845 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.52 -14.31 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 24.449999999999999 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -132.86 170.8 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 110.904 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.5 83.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 71.150000000000006 111.106 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 158.31 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.519999999999996 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 86' ' ' LEU . 21.3 mt-10 -53.59 -26.54 22.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 70.129999999999995 110.869 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.85 -25.95 67.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 61.310000000000002 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -109.31 -27.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.129999999999995 110.928 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.48 -27.96 66.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 64.409999999999997 110.966 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -63.06 -13.05 31.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 61.539999999999999 110.89 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.23 40.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 64.129999999999995 110.912 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -81.47 -19.98 41.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.200000000000003 110.842 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 77' ' ' LEU . 5.1 mt -93.25 -5.55 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.140000000000001 110.928 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 3.18 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.895 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -102.52 -35.56 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.430000000000007 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 15' ' ' LEU . 50.4 m-85 -95.75 -25.44 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.908 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.5 tt0 -107.96 -35.99 6.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t 61.03 63.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.01 -15.69 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 41.409999999999997 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 179.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 111.084 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -79.52 179.43 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.510000000000005 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.91 150.85 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 111.173 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 67' ' ' LEU . 45.0 mt -56.33 132.3 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.85 -178.23 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 71.209999999999994 111.14 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.84 -10.52 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.150000000000006 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -106.57 -10.22 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.040000000000006 110.804 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HG2' HG22 ' A' ' 78' ' ' THR . 28.9 mm-40 -94.76 -61.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 63.439999999999998 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.4 -47.89 62.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 64.540000000000006 111.126 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -49.34 -45.93 46.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.030000000000001 110.957 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -61.72 -60.78 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.030000000000001 111.121 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -50.99 -37.88 47.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 54.420000000000002 110.889 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HA2' ' A' ' 95' ' ' GLY . 60.8 tp -73.95 -35.58 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.239999999999995 110.897 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.72 21.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.109999999999999 111.071 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.94 -16.31 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 51.130000000000003 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.66 -55.54 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.019999999999996 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 28.3 t70 -58.98 -73.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 63.530000000000001 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 59.58 10.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.875 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.484 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.1 m-20 -106.11 -15.29 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.530000000000001 110.834 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.432 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.73 43.14 29.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 63.399999999999999 112.48 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -114.7 -31.73 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 73.299999999999997 110.85 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 97.17 -8.57 64.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 42.25 112.506 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.31 134.68 55.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 75.010000000000005 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 89' ' ' ALA . 32.5 mm -86.91 143.38 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.239999999999995 111.156 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.91 174.33 15.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.240000000000002 112.521 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.4 2.75 30.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 70.239999999999995 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -112.0 -10.5 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 72.540000000000006 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 97' ' ' ILE . 3.8 pt-20 -123.58 4.41 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.89 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -86.97 -67.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.430000000000007 110.869 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -36.24 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.878 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -32.58 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.89 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.8 ppp? -79.5 -16.62 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.754 HG11 ' CD2' ' A' ' 43' ' ' LEU . 17.8 t -81.99 -78.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.240000000000002 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -35.68 81.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.897 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.848 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 74.25 111.128 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -122.42 -6.69 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 73.349999999999994 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.94 -42.93 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.200000000000003 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.605 HD21 ' C ' ' A' ' 34' ' ' GLY . 19.8 mt -126.44 157.85 37.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.963 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.56 161.4 74.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 60.130000000000003 110.846 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.28 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 64.209999999999994 112.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -53.15 -46.38 68.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 53.299999999999997 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -58.02 -35.31 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 75.019999999999996 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -77.16 -51.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.450000000000003 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.0 70.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.010000000000005 111.094 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.96 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.540000000000006 111.077 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -83.31 -44.57 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 55.43 111.115 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' C ' ' A' ' 70' ' ' PHE . 17.3 mt -56.44 -46.69 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.030000000000001 110.905 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.76 -31.74 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -52.32 -39.57 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.5 m -138.69 39.43 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.049999999999997 110.897 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.81 -37.36 59.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.916 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -53.73 155.32 5.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.702 . . . . 63.140000000000001 111.087 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.69 150.46 68.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 62.310000000000002 112.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.94 33.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 65.510000000000005 110.868 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 p -112.13 -13.82 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 110.826 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 27.9 p90 -114.47 -174.98 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 72.329999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.84 161.72 28.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 75.319999999999993 110.898 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.532 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.83 -15.27 36.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 63.340000000000003 112.32 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.14 24.0 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.875 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -132.16 9.72 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.912 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 -32.08 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.886 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -69.25 -11.27 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.010000000000005 110.905 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -81.48 -40.31 23.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 110.897 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.38 -30.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.209999999999994 111.116 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.507 ' HB2' HD13 ' A' ' 6' ' ' LEU . 80.5 p -85.44 -70.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.869 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.605 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.56 39.22 0.51 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 63.32 112.509 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.532 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.3 mtp -74.96 -49.22 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 54.450000000000003 110.863 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG12 ' A' ' 106' ' ' VAL . 56.9 p -53.32 -32.87 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.030000000000001 110.857 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.66 -15.78 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 61.5 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.63 164.2 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 73.439999999999998 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -73.9 -177.8 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 52.549999999999997 110.847 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.17 1.04 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 64.519999999999996 110.818 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 m -107.0 -30.95 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 64.439999999999998 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.31 -25.15 60.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.818 HD22 HG11 ' A' ' 106' ' ' VAL . 5.0 mt -80.64 -19.35 45.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.239999999999995 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -71.64 -32.38 67.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.349999999999994 110.858 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.08 -48.5 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 64.140000000000001 110.852 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -68.19 -36.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 71.510000000000005 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.67 -39.76 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.903 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.33 52.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.310000000000002 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.597 HG22 HH21 ' A' ' 69' ' ' ARG . 40.0 mm -96.28 -13.69 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 111.141 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 -25.02 22.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.901 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -64.29 94.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 7.85 26.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.866 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.49 -12.24 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 51.009999999999998 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 59.21 16.64 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -34.87 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 51.130000000000003 110.86 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.19 -15.1 4.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 50.140000000000001 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -132.11 171.1 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 110.874 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 33.1 mt -115.87 79.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 70.109999999999999 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -54.13 170.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.430000000000007 110.878 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.9 -30.99 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.209999999999994 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -23.62 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 64.439999999999998 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.24 -27.71 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.15 -30.7 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.916 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.92 -30.93 70.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 64.310000000000002 110.865 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.8 16.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 64.25 110.906 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.46 -30.81 61.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 74.430000000000007 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 77' ' ' LEU . 2.2 mt -82.95 -9.64 59.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 44.030000000000001 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.13 8.59 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.597 HH21 HG22 ' A' ' 49' ' ' ILE . 5.9 mmm180 -106.14 -31.1 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.530000000000001 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.5 m-85 -96.16 -27.85 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.877 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.2 tp10 -109.87 -32.99 6.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 73.140000000000001 110.884 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 64.15 59.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.129999999999995 110.858 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.32 -18.57 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 54.219999999999999 112.513 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.11 -179.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 71.129999999999995 111.119 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -78.27 175.99 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.400000000000006 110.889 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 2.0 m -99.1 152.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.209999999999994 111.1 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 67' ' ' LEU . 81.4 mt -55.63 138.88 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.109999999999999 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.8 t -77.16 -177.12 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.63 -7.97 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 52.43 111.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 46.9 t -111.75 -6.02 14.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.120000000000005 110.832 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.538 ' CG ' HG22 ' A' ' 78' ' ' THR . 10.5 mm-40 -95.75 -61.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 110.87 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.47 -47.73 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 53.039999999999999 111.114 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -49.95 -54.57 18.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 61.100000000000001 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.532 HG22 ' HG3' ' A' ' 26' ' ' PRO . 24.6 m -51.55 -55.67 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 63.43 111.184 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CD1' HD11 ' A' ' 63' ' ' LEU . 8.1 t80 -51.71 -44.22 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.883 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.7 tp -68.04 -25.01 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.109999999999999 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.91 0.08 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.299999999999997 111.132 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 -18.12 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 111.089 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.71 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -128.85 -12.22 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 62.210000000000001 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.594 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.9 t70 -133.18 24.37 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 34.25 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.95 -14.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.84 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 10.1 p30 -61.69 -27.67 68.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 63.409999999999997 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.41 43.32 4.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 73.519999999999996 112.48 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -104.32 -30.54 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 75.319999999999993 110.858 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.22 15.83 58.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 71.310000000000002 112.479 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -157.46 135.11 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 62.310000000000002 110.935 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.71 HD12 ' HB3' ' A' ' 89' ' ' ALA . 43.9 mm -80.48 147.46 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 64.129999999999995 111.133 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.31 175.47 17.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 43.130000000000003 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.34 7.01 17.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 75.129999999999995 111.126 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -117.59 -12.69 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.43 -2.57 9.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 70.200000000000003 110.896 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -77.02 -65.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 61.530000000000001 110.83 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -36.13 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 64.409999999999997 110.923 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.11 -27.45 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 65.129999999999995 110.909 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -87.5 -16.76 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 63.130000000000003 110.857 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.818 HG11 HD22 ' A' ' 43' ' ' LEU . 16.7 t -81.76 -77.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.5 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -35.48 80.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.400000000000006 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 44.509999999999998 110.857 -179.812 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.766 0.317 . . . . 63.140000000000001 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.25 -5.6 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.855 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.09 -63.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.154 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.76 HD13 ' OG ' ' A' ' 33' ' ' SER . 38.4 mt -97.95 156.78 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.921 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.69 159.94 73.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.708 0.766 . . . . 74.019999999999996 110.807 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 32.409999999999997 112.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -53.91 -48.5 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.889 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.47 -34.84 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 63.340000000000003 110.863 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 25.4 mt -74.65 -52.82 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 111.12 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.03 -23.2 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 60.439999999999998 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.96 -24.64 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 111.079 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.73 -24.14 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 111.106 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 70' ' ' PHE . 25.8 mt -69.73 -56.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 110.873 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -23.57 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.38 -51.68 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 63.509999999999998 110.907 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 m -133.24 43.01 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.911 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.07 -37.9 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.946 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.27 150.44 8.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 64.420000000000002 111.056 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.57 60.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 72.140000000000001 112.331 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 61.4 17.38 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 72.439999999999998 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 -15.41 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 73.430000000000007 110.864 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -92.69 166.72 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 65.230000000000004 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.41 156.65 31.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 70.120000000000005 110.854 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.1 Cg_endo -69.82 -16.25 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.22 . . . . 73.420000000000002 112.35 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 30.85 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 55.329999999999998 110.935 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -135.33 17.63 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -117.15 -22.6 8.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -78.18 -14.97 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.891 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -85.06 -34.65 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 61.409999999999997 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 2.9 mp -92.83 -29.57 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 71.340000000000003 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -94.28 -67.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.87 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.654 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.87 45.79 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 63.32 112.491 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.735 ' HG2' HD11 ' A' ' 6' ' ' LEU . 32.9 mtp -73.64 -49.84 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 51.530000000000001 110.893 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.483 ' HA ' HG12 ' A' ' 106' ' ' VAL . 86.7 p -53.25 -35.24 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 61.399999999999999 110.852 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -62.36 -19.23 63.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -90.98 150.4 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.120000000000005 110.887 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -73.91 160.83 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.310000000000002 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.657 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.03 -25.77 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 110.873 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -74.79 -36.81 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 52.520000000000003 110.873 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -74.19 -33.35 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.129999999999995 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.717 ' CD2' HG11 ' A' ' 106' ' ' VAL . 2.8 mt -76.24 -14.08 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 64.299999999999997 110.957 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -70.53 -42.53 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.865 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -48.42 -45.63 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 64.230000000000004 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.1 mt -48.95 -45.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.087 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 2.0 t80 -55.29 -39.15 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 110.866 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -9.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.877 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.0 mm -101.79 -19.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 111.145 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -89.41 -26.28 21.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 62.420000000000002 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.19 121.6 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -130.0 3.15 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.875 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 51.36 22.2 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.349999999999994 110.933 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -60.74 -18.16 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.149999999999999 110.838 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.29 -16.27 12.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 54.43 112.519 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -144.23 144.88 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.352 . . . . 74.209999999999994 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mt -91.76 103.67 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 111.128 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.44 164.23 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.826 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -53.53 -29.68 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.140000000000001 110.851 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.31 -23.74 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 52.409999999999997 110.836 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.72 -14.89 13.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -76.61 -29.09 56.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 72.030000000000001 110.929 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.05 -12.69 41.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.888 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -102.97 47.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 62.43 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 64.5 t80 -87.72 -21.17 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.549999999999997 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 77' ' ' LEU . 3.1 mt -97.46 -2.22 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.69 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.941 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -110.35 -42.44 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.87 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.588 ' O ' HD11 ' A' ' 15' ' ' LEU . 62.5 m-85 -85.3 -24.12 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -114.49 -25.13 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p 47.18 77.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.893 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.17 -10.19 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 74.299999999999997 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -175.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 63.520000000000003 111.136 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -84.94 175.55 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 73.329999999999998 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -98.63 150.84 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 61.049999999999997 111.078 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HB2' HG23 ' A' ' 82' ' ' THR . 38.2 mt -55.88 131.47 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 72.099999999999994 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.794 HG23 ' H ' ' A' ' 80' ' ' SER . 10.0 t -76.47 -179.06 4.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.149 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -12.18 50.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.130000000000003 111.113 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.794 ' H ' HG23 ' A' ' 78' ' ' THR . 8.7 t -103.78 -11.39 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 54.399999999999999 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.69 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.7 mm-40 -94.74 -61.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 51.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.74 -48.46 69.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 42.0 111.14 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -50.97 -46.28 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.519999999999996 110.856 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.53 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.0 m -59.27 -58.61 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 51.140000000000001 111.093 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -51.14 -49.21 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 90' ' ' ASP . 5.8 tp -63.82 -37.36 87.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.915 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.27 0.01 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.340000000000003 111.082 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.73 -16.03 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.120000000000005 111.107 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.68 -55.75 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 72.230000000000004 111.094 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 86' ' ' LEU . 30.4 t70 -60.09 -72.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.884 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.43 11.03 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 65.129999999999995 110.839 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.502 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.8 m-20 -105.04 -20.5 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 64.109999999999999 110.867 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.09 25.32 49.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 55.229999999999997 112.49 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.89 -21.46 15.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 75.219999999999999 110.855 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.15 24.27 69.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 72.129999999999995 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 125.94 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 74.409999999999997 110.918 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.3 mm -84.59 149.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.112 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.88 -178.34 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 72.25 112.478 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.18 7.24 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.115 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -117.92 -10.05 10.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.420000000000002 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.87 -6.8 9.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 75.299999999999997 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -74.43 -67.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.400000000000006 110.872 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -36.19 33.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 110.918 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.21 -29.07 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.448 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -85.19 -17.47 37.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 110.901 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -81.42 -78.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 111.143 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.17 -35.32 80.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.039999999999999 110.948 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 44.530000000000001 110.86 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.785 0.326 . . . . 74.209999999999994 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -130.52 0.55 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.549999999999997 110.835 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.25 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 60.329999999999998 111.122 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.0 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 70.329999999999998 110.938 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.06 161.08 76.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 54.450000000000003 110.858 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 71.420000000000002 112.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -46.42 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 54.43 110.876 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -58.6 -34.05 70.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.8 mt -78.0 -52.32 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 63.020000000000003 111.087 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.16 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 60.200000000000003 111.115 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -28.12 60.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.400000000000006 111.089 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.09 -26.56 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 111.111 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 70' ' ' PHE . 20.0 mt -71.04 -54.86 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -71.19 -11.11 60.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.209999999999994 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.97 -40.27 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 61.149999999999999 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.88 38.12 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 54.439999999999998 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.31 -35.15 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.230000000000004 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.06 150.1 11.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 62.350000000000001 111.128 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.98 67.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 42.210000000000001 112.333 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.72 34.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 61.25 110.887 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -123.98 8.28 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.399999999999999 110.842 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.66 178.99 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.38 158.24 58.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 72.319999999999993 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.674 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.74 -11.16 30.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 72.150000000000006 112.393 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 33.11 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -134.09 20.06 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.912 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -2.6 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -94.68 -15.2 24.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.030000000000001 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -84.7 -33.63 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.6 mp -92.5 -31.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 65.420000000000002 111.171 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 13.4 t -90.12 -70.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 75.329999999999998 110.86 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.653 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 126.5 31.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 54.43 112.486 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.0 mtp -64.89 -49.37 70.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 71.030000000000001 110.911 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 106' ' ' VAL . 60.2 p -53.04 -35.2 59.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 55.219999999999999 110.846 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -63.49 -19.74 65.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 71.209999999999994 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -89.65 152.72 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 51.530000000000001 110.882 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -74.4 163.29 27.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 110.865 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.97 -19.17 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 63.5 110.86 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.9 p -82.88 -22.13 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.420000000000002 110.883 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -92.03 -28.05 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 72.430000000000007 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.736 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -77.42 -20.58 54.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.93 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -74.11 -23.52 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.08 -46.63 89.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.52 -38.02 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 60.350000000000001 111.122 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -37.89 68.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.109999999999999 110.869 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -12.55 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.219999999999999 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.655 HG22 HH21 ' A' ' 69' ' ' ARG . 16.6 mm -98.69 -12.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.420000000000002 111.169 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -25.6 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.219999999999999 110.927 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -69.45 118.77 12.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 65.230000000000004 110.884 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.66 12.93 24.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.885 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.9 0.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 110.873 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 51.78 20.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.952 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.31 -24.67 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.329999999999998 110.864 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.21 -16.27 10.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.409999999999997 112.489 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.91 169.49 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 75.319999999999993 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.3 mt -117.04 84.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 70.010000000000005 111.141 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.85 173.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.03 -32.59 73.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.858 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -61.23 -19.62 61.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.44 -19.23 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.040000000000006 110.904 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.29 -32.13 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.229999999999997 110.965 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.58 -31.57 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 55.240000000000002 110.855 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.88 16.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 74.329999999999998 110.915 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.9 -31.96 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.209999999999994 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 77' ' ' LEU . 1.6 mt -82.4 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.430000000000007 110.953 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.48 7.09 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.409999999999997 110.905 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.655 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -104.54 -30.4 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.010000000000005 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' O ' HD11 ' A' ' 15' ' ' LEU . 30.8 m-85 -99.28 -22.55 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.329999999999998 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 15' ' ' LEU . 3.1 tm-20 -113.65 -33.57 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.409999999999997 110.834 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m 62.68 57.86 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.857 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 -21.22 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 50.130000000000003 112.455 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 75.219999999999999 111.108 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -79.04 179.75 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.72 150.12 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 72.340000000000003 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 67' ' ' LEU . 62.4 mt -56.23 137.01 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.917 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.865 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.63 -174.82 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.146 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.69 -5.21 36.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 60.539999999999999 111.042 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.865 ' H ' HG23 ' A' ' 78' ' ' THR . 32.7 t -114.43 -3.45 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 110.837 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.597 ' HG3' HG22 ' A' ' 78' ' ' THR . 39.8 mt-10 -98.38 -61.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.55 -48.85 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 74.519999999999996 111.104 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -50.38 -48.04 56.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 26' ' ' PRO . 15.8 m -54.89 -57.71 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 64.219999999999999 111.101 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -50.73 -47.65 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.120000000000005 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 8.9 tp -64.03 -36.33 83.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 71.349999999999994 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.48 3.36 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.329999999999998 111.116 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 -15.16 10.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.010000000000005 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -119.65 -57.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 111.138 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.793 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -62.44 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 110.858 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 68.13 7.41 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.540000000000006 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 -14.81 15.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 71.140000000000001 110.864 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.48 20.89 73.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 71.25 112.473 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.34 -37.7 51.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 71.150000000000006 110.849 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.46 21.52 44.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 63.340000000000003 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.59 116.95 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.299999999999997 110.926 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.793 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.1 mm -63.14 151.38 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 111.134 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.48 7.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 72.120000000000005 112.511 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.6 3.34 39.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 60.409999999999997 111.099 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -117.95 -5.29 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 64.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.576 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 7.2 pt-20 -126.9 2.23 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -91.14 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -37.71 47.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 52.310000000000002 110.93 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -56.09 -31.35 63.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.764 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -82.1 -16.61 49.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.450000000000003 110.888 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.736 HG11 HD22 ' A' ' 43' ' ' LEU . 15.4 t -82.23 -78.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.43 111.128 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.84 -35.38 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 43.340000000000003 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 73.209999999999994 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 54.439999999999998 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.44 -0.09 4.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.875 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.456 HD13 ' CD ' ' A' ' 45' ' ' GLU . 5.3 mp -133.41 -38.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 71.209999999999994 111.137 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD21 ' C ' ' A' ' 34' ' ' GLY . 2.1 mt -131.82 158.1 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 62.240000000000002 110.926 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.87 158.98 79.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 75.239999999999995 110.902 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 72.310000000000002 112.316 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -53.43 -45.23 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.239999999999995 110.848 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.03 -44.53 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.834 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -68.54 -55.03 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 70.420000000000002 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.97 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.310000000000002 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.83 39.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.549999999999997 111.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.27 -36.73 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 61.399999999999999 111.1 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.668 HD13 ' CD ' ' A' ' 71' ' ' GLU . 16.9 mt -61.34 -50.69 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.915 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -69.86 -31.15 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.319999999999993 110.876 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.29 -40.6 62.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.329999999999998 110.857 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.0 m -139.42 43.39 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.209999999999994 110.91 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.7 -35.65 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.915 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 150.43 7.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 65.129999999999995 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.96 49.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.74 2.293 . . . . 74.519999999999996 112.337 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 51.46 29.12 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 70.450000000000003 110.859 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.03 -21.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 55.520000000000003 110.857 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.84 176.74 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 73.219999999999999 110.884 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.79 158.08 50.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 71.439999999999998 110.902 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.8 -12.1 32.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.63 2.22 . . . . 52.119999999999997 112.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 29.98 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.908 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -134.75 14.93 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.209999999999994 110.921 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.62 -9.32 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.923 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -94.69 -15.14 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 74.120000000000005 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.18 -31.96 30.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 61.219999999999999 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -90.58 -38.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.239999999999995 111.14 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -81.31 -74.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.846 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 132.4 35.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 74.219999999999999 112.49 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.567 ' O ' HD21 ' A' ' 43' ' ' LEU . 32.1 mtp -70.49 -52.04 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 74.230000000000004 110.854 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.35 -33.9 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 75.340000000000003 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.2 -22.2 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -86.16 -163.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.918 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -120.25 160.74 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.867 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.29 -47.14 55.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.400000000000006 110.88 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -60.62 -25.92 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.239999999999995 110.814 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -92.33 -15.31 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 106' ' ' VAL . 8.0 mt -96.08 -18.04 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 63.409999999999997 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -68.67 -25.12 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 54.119999999999997 110.915 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CD ' HD13 ' A' ' 5' ' ' ILE . 1.2 pp20? -55.65 -49.4 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.818 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.0 mp -47.57 -45.56 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 111.183 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -37.76 68.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 72.430000000000007 110.922 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.15 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.5 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.492 HG22 HH21 ' A' ' 69' ' ' ARG . 25.5 mm -105.61 -12.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 62.100000000000001 111.12 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -93.67 -25.69 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.874 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -68.89 118.17 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.927 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.83 7.13 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 65.329999999999998 110.853 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -1.51 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.409999999999997 110.88 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 52.6 20.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -24.74 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.874 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.14 -17.33 8.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 71.400000000000006 112.503 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -133.43 169.0 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 71.409999999999997 110.824 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.7 mt -117.3 82.85 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.450000000000003 111.168 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.44 172.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.65 -30.83 70.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 70.430000000000007 110.887 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.52 -18.59 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 64.209999999999994 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.38 -19.19 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 75.319999999999993 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.31 -29.66 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 54.039999999999999 110.915 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.7 ptpt -61.32 -27.88 68.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 110.887 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 76' ' ' VAL . 56.8 m-85 -92.07 23.38 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.97 -28.78 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 63.340000000000003 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.73 -12.08 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.239999999999995 110.927 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.86 7.77 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 64.329999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.492 HH21 HG22 ' A' ' 49' ' ' ILE . 5.2 mmm180 -106.2 -30.43 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.6 m-85 -99.6 -22.36 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 110.859 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.668 ' CD ' HD13 ' A' ' 15' ' ' LEU . 4.2 tp10 -115.28 -19.87 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.340000000000003 110.857 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p 46.98 61.52 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 64.25 110.892 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.28 -17.38 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 75.310000000000002 112.459 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.92 179.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 54.43 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -77.42 175.72 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 73.340000000000003 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -95.8 -168.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 54.520000000000003 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 67' ' ' LEU . 67.9 mt -104.37 137.37 42.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 71.340000000000003 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' H ' ' A' ' 80' ' ' SER . 9.9 t -76.74 -176.07 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 71.510000000000005 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.71 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 111.094 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.841 ' H ' HG23 ' A' ' 78' ' ' THR . 13.3 t -109.0 -6.41 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 52.32 110.89 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.611 ' OE2' HG22 ' A' ' 78' ' ' THR . 32.9 mt-10 -97.03 -60.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 71.310000000000002 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.34 -48.95 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.310000000000002 111.145 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -51.41 -46.5 62.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 44.509999999999998 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.9 m -56.63 -57.53 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.019999999999996 111.131 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.24 -50.07 51.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.109999999999999 110.842 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' OD2' ' A' ' 90' ' ' ASP . 3.7 tp -64.74 -32.61 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.16 -3.95 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 111.096 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.23 -13.38 10.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 61.219999999999999 111.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -118.21 -40.67 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 50.149999999999999 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 86' ' ' LEU . 3.3 m-20 -93.65 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 50.63 21.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.819 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -105.43 -16.3 14.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.219999999999999 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.65 6.4 73.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 62.43 112.495 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB3' ' HD3' ' A' ' 96' ' ' LYS . 2.3 m-20 -72.79 -42.69 63.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 74.340000000000003 110.871 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.28 57.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 72.219999999999999 112.498 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HB3' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -150.08 123.26 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 65.549999999999997 110.927 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.649 HD13 ' OD2' ' A' ' 90' ' ' ASP . 7.9 mm -67.57 147.24 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 111.127 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.06 -179.81 16.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.538 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.41 8.52 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 65.430000000000007 111.096 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -124.31 -4.27 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.18 9.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -96.11 -64.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.040000000000006 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -37.62 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.129999999999995 110.915 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.03 -33.39 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 110.927 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.82 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -78.07 -17.48 56.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 110.868 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 43' ' ' LEU . 18.7 t -80.15 -77.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 111.078 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.01 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.821 -179.806 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 62.140000000000001 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.464 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -118.67 -4.81 10.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 64.530000000000001 110.852 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.464 HD12 ' C ' ' A' ' 4' ' ' ASP . 5.0 mp -139.06 -47.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 65.340000000000003 111.144 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.4 HD21 ' C ' ' A' ' 34' ' ' GLY . 5.4 mt -125.84 158.89 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 71.209999999999994 110.891 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.75 160.81 78.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.678 0.751 . . . . 74.400000000000006 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 72.140000000000001 112.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -46.4 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 110.832 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -58.66 -35.2 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 55.020000000000003 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.78 -51.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.230000000000004 111.149 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.8 -22.35 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 51.219999999999999 111.079 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.63 -22.5 37.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 50.329999999999998 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -95.74 -29.37 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.5 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 71' ' ' GLU . 44.7 mt -69.42 -54.35 14.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.540000000000006 110.904 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -69.91 -26.48 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.319999999999993 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.43 -52.56 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -131.8 40.38 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 62.020000000000003 110.902 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -52.44 -36.54 54.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.439999999999998 110.919 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 72.409999999999997 111.056 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.89 68.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 71.230000000000004 112.344 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' HB3' HG21 ' A' ' 78' ' ' THR . 4.3 p-10 42.85 34.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.549999999999997 110.828 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.6 -12.28 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.847 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -125.08 140.05 53.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.299999999999997 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.33 160.39 29.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 63.509999999999998 110.86 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.629 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.75 -15.82 37.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 75.310000000000002 112.354 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.56 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 110.921 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -127.69 11.18 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.319999999999993 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -105.48 -19.18 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.329999999999998 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -81.6 -4.88 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -93.18 -36.87 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.530000000000001 110.914 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.626 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -88.12 -26.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.340000000000003 111.104 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.01 -69.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.510000000000005 110.878 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.57 40.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 53.340000000000003 112.484 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 39.7 mtp -70.93 -48.71 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 62.140000000000001 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 106' ' ' VAL . 75.7 p -53.8 -33.87 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.846 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -16.81 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -92.85 159.84 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.200000000000003 110.903 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 179.33 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 74.420000000000002 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -10.16 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 72.319999999999993 110.844 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -93.19 -32.1 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.450000000000003 110.887 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -72.32 -35.64 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 110.925 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.95 -17.49 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 63.219999999999999 110.959 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 3.8 mtmp? -70.42 -26.3 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.901 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.56 -46.79 88.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 43.340000000000003 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.8 mt -56.7 -37.36 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.117 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -38.63 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 62.25 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -12.49 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 110.906 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mm -97.12 -16.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 62.32 111.146 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.33 -24.98 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 71.439999999999998 110.907 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.51 117.14 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.865 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.9 0.58 35.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 52.049999999999997 110.906 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 0.77 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 110.852 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 51.75 21.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 65.340000000000003 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -69.32 -17.74 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 110.839 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.46 -16.32 21.9 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.809 -0.71 . . . . 61.530000000000001 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -132.93 166.53 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 72.5 110.865 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.16 105.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 72.109999999999999 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.79 168.41 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.905 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.72 -30.28 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 50.43 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.01 -22.65 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 63.509999999999998 110.862 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.12 -18.76 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.539999999999999 110.905 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.2 -29.67 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.2 ptpt -62.47 -26.82 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 54.439999999999998 110.88 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CD1' HG12 ' A' ' 76' ' ' VAL . 44.1 m-85 -93.03 23.49 4.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 70.140000000000001 110.93 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.4 t80 -55.98 -27.83 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.349999999999994 110.901 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -83.37 -17.66 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 71.530000000000001 110.931 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -83.03 3.7 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 62.340000000000003 110.929 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.02 -30.62 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.120000000000005 110.861 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' HD11 ' A' ' 15' ' ' LEU . 55.4 m-85 -105.48 -15.47 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 54.439999999999998 110.923 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -115.75 -35.12 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 65.150000000000006 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 59.46 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 31.329999999999998 110.849 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.25 -16.37 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 53.109999999999999 112.477 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.09 174.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 61.149999999999999 111.103 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HG3' HD12 ' A' ' 67' ' ' LEU . 1.6 ptp85 -70.46 -173.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.329999999999998 110.86 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -106.68 -167.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 67' ' ' LEU . 37.4 mt -103.94 134.56 47.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.922 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.804 HG23 ' H ' ' A' ' 80' ' ' SER . 10.1 t -77.04 -178.67 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 111.14 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.86 58.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 74.519999999999996 111.088 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.804 ' H ' HG23 ' A' ' 78' ' ' THR . 42.0 t -104.34 -9.49 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 73.319999999999993 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' CG ' HG22 ' A' ' 78' ' ' THR . 7.6 mm-40 -96.81 -59.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.905 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.87 -47.96 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 62.450000000000003 111.106 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -50.53 -51.81 44.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 26' ' ' PRO . 16.7 m -52.35 -57.02 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 111.138 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -51.04 -46.55 61.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 64.439999999999998 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 90' ' ' ASP . 10.9 tp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.150000000000006 110.892 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -2.13 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.230000000000004 111.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.87 -17.7 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 71.109999999999999 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -130.25 -9.71 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 65.25 111.104 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.422 ' OD2' HD13 ' A' ' 97' ' ' ILE . 1.3 m-20 -134.33 27.04 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.64 -17.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 60.299999999999997 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -60.39 -29.65 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.876 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.36 18.14 43.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 53.420000000000002 112.548 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.7 -33.59 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 74.230000000000004 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.41 12.09 70.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 63.409999999999997 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 120.29 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 72.420000000000002 110.877 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.0 mm -69.83 144.81 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 111.118 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.49 179.89 16.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 74.230000000000004 112.425 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.427 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -85.93 8.45 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 64.129999999999995 111.082 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -119.15 -12.11 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.902 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -124.63 9.7 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 71.540000000000006 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.411 ' HD2' HG21 ' A' ' 97' ' ' ILE . 40.6 t80 -94.59 -60.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -37.33 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 110.959 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.22 -31.61 63.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 73.510000000000005 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.419 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.1 ppp? -81.83 -15.05 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 60.229999999999997 110.904 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 43' ' ' LEU . 14.9 t -84.37 -78.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.210000000000001 111.12 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.39 -35.4 80.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 110.876 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 63.100000000000001 110.875 -179.804 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 62.420000000000002 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.68 -3.43 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.67 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 111.15 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 19.6 mt -97.22 158.5 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.129999999999995 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 161.06 76.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.683 0.754 . . . . 65.25 110.806 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 42.119999999999997 112.367 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -54.81 -46.51 74.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.894 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.75 -34.98 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 72.329999999999998 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -75.49 -52.8 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 111.145 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.69 38.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 111.135 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.97 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -85.78 -45.55 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 55.310000000000002 111.087 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' C ' ' A' ' 70' ' ' PHE . 13.8 mt -52.88 -53.28 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 64.5 110.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -70.27 -31.57 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 54.420000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -39.8 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.340000000000003 110.908 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.71 46.18 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 64.140000000000001 110.848 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -69.08 -36.57 77.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.946 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 148.97 23.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 65.230000000000004 111.104 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.81 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.715 2.277 . . . . 70.129999999999995 112.326 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.32 29.21 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.79 14.66 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.854 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -131.35 164.63 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.109999999999999 110.897 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 160.72 58.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 73.239999999999995 110.869 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.0 Cg_endo -69.79 -20.83 34.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 62.520000000000003 112.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 29.81 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 74.129999999999995 110.886 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -134.99 17.65 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 72.239999999999995 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.16 -9.56 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -90.46 -15.14 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 73.329999999999998 110.853 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.56 -33.97 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -89.78 -31.19 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.510000000000005 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 2.4 t -91.8 -69.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 60.340000000000003 110.833 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.676 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.82 29.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 55.329999999999998 112.51 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.8 mtp -63.25 -49.02 75.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 62.229999999999997 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.672 ' HA ' HG12 ' A' ' 106' ' ' VAL . 8.0 m -54.01 -35.12 61.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 51.520000000000003 110.873 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -66.02 -14.01 60.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.019999999999996 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.84 156.3 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 73.25 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 m -74.1 164.03 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 75.519999999999996 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.36 -17.0 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 61.219999999999999 110.855 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -87.98 -32.58 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 51.350000000000001 110.907 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.72 -31.93 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 72.450000000000003 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.606 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.4 mt -75.07 -18.05 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -70.21 -27.31 64.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 110.919 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -62.26 -46.77 87.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.4 mt -58.47 -29.97 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 62.039999999999999 111.138 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -24.22 66.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.299999999999997 110.882 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -3.34 38.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 71.530000000000001 110.887 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mm -109.36 -14.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 111.115 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.08 -25.67 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 110.947 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.7 117.96 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 2.06 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.210000000000001 110.895 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.95 1.27 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.129999999999995 110.852 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 51.46 21.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.120000000000005 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -71.03 -17.36 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.77 -15.06 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 64.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -130.59 162.5 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 71.310000000000002 110.907 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -117.59 102.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.17 164.9 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 71.400000000000006 110.901 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.37 -28.88 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -24.08 67.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 70.530000000000001 110.927 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -112.8 -14.27 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.219999999999999 110.859 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.6 OUTLIER -77.1 -27.17 54.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.941 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -64.19 -11.96 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 110.931 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 76' ' ' VAL . 13.5 m-85 -97.27 22.22 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -56.44 -26.21 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 75.519999999999996 110.897 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 77' ' ' LEU . 1.3 mt -86.75 -13.35 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 55.530000000000001 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 14.4 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 110.903 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.08 -34.77 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.873 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' C ' HD11 ' A' ' 15' ' ' LEU . 63.8 m-85 -95.22 -25.32 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.905 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -112.09 -32.99 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.899 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m 62.65 59.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 154.66 -19.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 22.239999999999998 112.479 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 179.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 65.420000000000002 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.52 179.72 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 73.450000000000003 110.908 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -99.82 -168.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.219999999999999 111.127 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 67' ' ' LEU . 27.2 mt -103.73 138.77 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.957 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 9.4 t -77.12 -176.72 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 70.340000000000003 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.39 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 63.210000000000001 111.079 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 2.7 t -106.67 -9.15 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 61.149999999999999 110.911 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HG3' HG22 ' A' ' 78' ' ' THR . 33.4 mt-10 -96.29 -62.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 70.140000000000001 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.67 -47.69 58.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 65.25 111.146 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -48.73 -46.48 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.6 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.0 m -59.75 -59.87 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.53 -48.04 63.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD21 ' HA2' ' A' ' 95' ' ' GLY . 18.1 tp -63.59 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 73.549999999999997 110.919 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.8 2.91 24.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 60.210000000000001 111.13 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.01 -16.55 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.128 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.43 -55.58 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.097 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.11 -71.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 54.439999999999998 110.876 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 58.34 11.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 2.1 m-20 -105.38 -19.61 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 110.843 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.02 26.44 48.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 73.040000000000006 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -98.47 -35.2 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 75.030000000000001 110.883 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 98.54 -7.48 61.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 70.019999999999996 112.507 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 133.51 55.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 61.240000000000002 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 89' ' ' ALA . 37.3 mm -87.71 135.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.430000000000007 111.18 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.98 157.96 15.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 73.120000000000005 112.502 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.26 -10.64 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 51.520000000000003 111.095 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.86 -12.05 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 70.519999999999996 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -127.12 -1.25 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 71.420000000000002 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -77.11 -71.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -35.11 34.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.915 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.57 -25.99 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.130000000000003 110.899 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.7 ppp? -87.61 -18.18 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 55.43 110.891 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 36' ' ' SER . 13.1 t -80.17 -77.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 74.519999999999996 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.93 -33.37 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.918 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.129999999999995 110.853 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.792 0.329 . . . . 73.099999999999994 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.03 -11.93 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.399999999999999 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.68 -43.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 62.140000000000001 111.139 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 34' ' ' GLY . 6.5 mt -128.03 158.24 38.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.120000000000005 110.941 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.83 160.89 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 75.200000000000003 110.829 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 74.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 p -55.28 -31.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.838 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.6 -35.55 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 33.509999999999998 110.84 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.29 -54.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.089 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.06 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 62.020000000000003 111.065 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . . . -57.96 -19.91 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 40.140000000000001 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -100.35 -18.26 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.310000000000002 111.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.708 HD13 ' CD ' ' A' ' 71' ' ' GLU . 18.9 mt -75.22 -57.15 4.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 75.010000000000005 110.967 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -75.77 -3.57 35.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.230000000000004 110.893 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.31 -39.82 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -134.74 24.73 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.049999999999997 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -49.95 -39.56 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.519999999999996 110.933 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.14 152.37 4.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 71.239999999999995 111.124 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.51 53.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.724 2.283 . . . . 72.219999999999999 112.354 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.98 17.09 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.91 -18.12 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 110.836 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.63 161.3 14.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 73.299999999999997 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.78 156.85 36.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 74.129999999999995 110.863 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.71 -26.74 27.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 72.510000000000005 112.357 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 22.38 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 61.130000000000003 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -122.65 16.27 10.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.450000000000003 110.932 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -116.89 -18.31 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.430000000000007 110.924 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -83.14 -8.98 59.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 64.230000000000004 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.11 -39.98 15.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 74.310000000000002 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -87.4 -28.42 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 111.111 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.665 ' OG ' HD13 ' A' ' 6' ' ' LEU . 5.2 t -95.82 -69.01 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.040000000000006 110.898 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.707 ' O ' HD21 ' A' ' 6' ' ' LEU . . . 122.03 61.62 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.150000000000006 112.494 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.606 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.5 mtp -89.16 -51.11 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 65.120000000000005 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -52.81 -33.98 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.200000000000003 110.817 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.79 -24.78 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 71.109999999999999 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -77.35 -162.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.319999999999993 110.87 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 t -120.93 158.33 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 34.530000000000001 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.41 -26.77 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 63.109999999999999 110.847 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -76.77 -27.86 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.420000000000002 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.43 -33.04 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.957 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -75.92 -21.29 57.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 110.916 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -16.51 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 110.887 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.45 -46.67 63.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.1 mt -51.71 -33.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 111.085 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -31.2 63.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.230000000000004 110.878 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -5.53 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.329999999999998 110.857 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.459 HG22 ' HE ' ' A' ' 69' ' ' ARG . 24.1 mm -106.6 -15.01 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 111.161 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -25.64 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 71.319999999999993 110.921 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -67.71 118.85 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.519999999999996 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.48 -2.49 28.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 110.848 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -0.25 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 71.430000000000007 110.888 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 51.71 21.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -68.79 -17.99 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.88 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.31 -19.09 13.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.742 . . . . 64.340000000000003 112.534 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.57 167.18 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 55.119999999999997 110.922 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.57 101.26 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.340000000000003 111.168 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.37 161.47 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.892 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.27 -29.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 71.239999999999995 110.851 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.03 -26.28 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -110.74 -17.25 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.5 -29.8 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 62.399999999999999 110.927 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.0 ptpt -63.12 -16.77 61.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.109999999999999 110.877 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD1' HG12 ' A' ' 76' ' ' VAL . 36.8 m-85 -100.18 41.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.120000000000005 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' HB3' HD11 ' A' ' 77' ' ' LEU . 58.9 t80 -78.6 -22.62 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 63.450000000000003 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 67' ' ' LEU . 5.3 mt -90.19 -3.74 57.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 110.94 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 0.46 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -101.71 -30.91 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.651 ' O ' HD11 ' A' ' 15' ' ' LEU . 67.0 m-85 -100.58 -18.48 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.099999999999994 110.85 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.708 ' CD ' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -116.01 -35.83 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m 62.15 62.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 61.450000000000003 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.08 -15.13 1.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 55.420000000000002 112.507 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.43 179.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 71.010000000000005 111.121 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -76.86 -178.15 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.1 m -100.26 -168.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 82' ' ' THR . 20.1 mt -103.93 133.38 48.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 70.439999999999998 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 80' ' ' SER . 11.5 t -76.59 179.38 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.019999999999996 111.158 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.61 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 55.030000000000001 111.091 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.784 ' H ' HG23 ' A' ' 78' ' ' THR . 38.4 t -101.17 -10.91 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 51.420000000000002 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 78' ' ' THR . 10.2 mm-40 -97.95 -59.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 64.510000000000005 110.883 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.83 -48.22 73.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 111.111 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -49.71 -51.01 41.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.9 m -51.66 -52.48 47.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 111.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 63' ' ' LEU . 15.4 t80 -56.8 -44.27 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.010000000000005 110.87 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 tp -68.37 -16.15 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.76 -16.62 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.209999999999994 111.125 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.43 -17.07 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 111.088 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -124.69 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 111.079 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.522 ' HB2' HD13 ' A' ' 97' ' ' ILE . 29.8 t70 -104.04 26.43 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.230000000000004 110.862 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -49.93 -14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 73.349999999999994 110.864 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -64.45 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 70.010000000000005 110.837 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 44.45 4.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 63.420000000000002 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.72 -27.44 12.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 65.340000000000003 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.0 15.65 60.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 71.209999999999994 112.495 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 133.67 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 74.109999999999999 110.906 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.8 mm -75.11 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 111.105 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 157.1 19.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 63.299999999999997 112.476 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.16 -6.38 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 63.119999999999997 111.1 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -101.88 -24.18 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -110.84 0.11 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 51.149999999999999 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -75.88 -67.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.439999999999998 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -35.47 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 75.310000000000002 110.908 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -27.56 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.918 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.612 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.8 ppp? -85.91 -17.71 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.874 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.957 HG11 HD22 ' A' ' 43' ' ' LEU . 17.4 t -79.85 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.5 -35.38 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.239999999999995 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 110.842 -179.773 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.9 0.381 . . . . 74.150000000000006 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.74 HD21 HD13 ' A' ' 5' ' ' ILE . 15.8 tp -52.29 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 71.349999999999994 110.928 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.43 29.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 111.193 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.29 -1.7 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 34.219999999999999 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.74 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -142.29 -66.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.010000000000005 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 34' ' ' GLY . 14.9 mt -96.83 158.14 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 110.957 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 160.16 76.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 75.439999999999998 110.857 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 51.039999999999999 112.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -57.42 -31.34 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.040000000000006 110.883 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.43 -35.5 65.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.41 -51.09 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 63.149999999999999 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.28 -31.08 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 51.219999999999999 111.144 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -81.58 -28.22 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.040000000000006 111.069 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 ' C ' ' A' ' 70' ' ' PHE . 11.3 mt -69.77 -54.5 13.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 73.540000000000006 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -66.92 -26.16 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.099999999999994 110.89 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.78 -51.32 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.510000000000005 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -133.08 42.92 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.310000000000002 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.010000000000005 110.931 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 151.7 43.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.532 0.682 . . . . 55.210000000000001 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.11 59.14 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.257 . . . . 74.409999999999997 112.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t0 51.44 28.99 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.400000000000006 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.89 -25.86 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.530000000000001 110.886 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 77' ' ' LEU . 9.2 p90 -94.91 -176.71 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.871 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.35 160.21 32.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 53.049999999999997 110.866 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.586 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.71 -24.05 30.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.718 2.278 . . . . 55.409999999999997 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.11 29.57 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.010000000000005 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -135.33 22.2 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.099999999999994 110.873 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -1.66 9.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 72.310000000000002 110.858 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -96.84 -11.85 24.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 62.229999999999997 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.82 -36.71 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.099999999999994 110.971 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.8 mp -88.44 -31.2 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.299999999999997 111.161 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -89.97 -69.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 63.43 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.68 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.49 32.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 52.340000000000003 112.505 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.601 ' O ' HD21 ' A' ' 43' ' ' LEU . 65.9 mtp -64.03 -49.18 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 72.430000000000007 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 106' ' ' VAL . 57.0 p -53.05 -33.78 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 73.049999999999997 110.9 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -21.78 66.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.439999999999998 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.15 152.35 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 64.420000000000002 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -74.05 160.08 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 61.399999999999999 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.69 -25.94 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 61.119999999999997 110.875 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -77.27 -36.78 54.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 71.439999999999998 110.873 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -74.37 -29.73 61.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.420000000000002 110.94 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 106' ' ' VAL . 5.4 mt -75.75 -12.86 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 110.952 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -82.21 -32.59 29.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.329999999999998 110.89 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -55.35 -29.2 57.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.030000000000001 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 50' ' ' LEU . 6.1 mt -76.43 -39.02 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -38.05 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 110.876 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -13.85 56.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.140000000000001 110.861 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HH21 ' A' ' 69' ' ' ARG . 5.3 mm -99.07 -15.11 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.135 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.79 -25.35 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.510000000000005 110.905 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -68.15 94.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.319999999999993 110.882 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.39 8.0 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.912 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.33 -13.61 7.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.049999999999997 110.858 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 60.7 15.31 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -35.92 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.803 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.61 -13.48 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 71.140000000000001 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -132.39 169.79 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.5 80.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 63.329999999999998 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.21 172.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.94 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.96 -32.84 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 72.400000000000006 110.91 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -19.35 63.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 71.150000000000006 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.49 -11.04 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.150000000000006 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -81.63 -28.84 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 74.010000000000005 110.917 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -64.48 -12.89 48.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.030000000000001 110.902 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE1' HG12 ' A' ' 76' ' ' VAL . 12.6 m-85 -97.33 24.08 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.901 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 77' ' ' LEU . 36.3 t80 -55.36 -35.1 64.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.872 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -79.36 -12.36 59.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 61.509999999999998 110.923 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 6.42 43.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 73.109999999999999 110.905 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.648 HH21 HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -103.12 -33.18 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.604 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.0 m-85 -100.38 -20.89 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.409999999999997 110.84 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' HG2' HD13 ' A' ' 15' ' ' LEU . 2.4 tm-20 -111.86 -35.61 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.219999999999999 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m 62.19 59.08 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 62.420000000000002 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.87 -19.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 53.539999999999999 112.517 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 179.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 24.140000000000001 111.123 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.14 177.95 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 61.240000000000002 110.878 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.7 m -95.85 -166.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 71.120000000000005 111.101 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 67' ' ' LEU . 26.3 mt -103.81 160.45 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.439999999999998 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -104.83 -179.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 70.209999999999994 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.7 -11.57 46.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.102 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 38.3 t -102.91 -1.36 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.010000000000005 110.836 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HG2' HG22 ' A' ' 78' ' ' THR . 25.4 mm-40 -113.15 -64.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 110.889 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.86 -48.69 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.5 111.144 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -53.61 -51.78 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.240000000000002 110.886 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -55.28 -57.9 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.200000000000003 111.156 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -50.47 -45.42 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.409999999999997 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.436 ' HA ' HD11 ' A' ' 97' ' ' ILE . 14.5 tp -64.77 -36.93 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.18 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.349999999999994 111.145 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.24 -16.31 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.120000000000005 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.747 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.65 -55.24 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.125 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 27.1 t70 -59.19 -72.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 75.400000000000006 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.93 10.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.420000000000002 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.517 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.4 m-20 -106.3 -15.19 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.099999999999994 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.18 43.9 30.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 73.219999999999999 112.48 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -117.77 -17.14 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 73.109999999999999 110.884 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 75.73 21.6 76.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 72.109999999999999 112.508 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -147.95 126.39 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.230000000000004 110.873 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.3 mm -79.96 144.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 62.130000000000003 111.128 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.94 15.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 64.450000000000003 112.49 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.02 5.25 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 71.409999999999997 111.102 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -115.56 -19.62 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -112.87 9.68 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 75.030000000000001 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -91.8 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 51.439999999999998 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -39.89 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.129999999999995 110.887 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.35 -33.07 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.099999999999994 110.929 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -78.95 -15.01 58.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 110.834 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG11 ' CD2' ' A' ' 43' ' ' LEU . 12.8 t -85.28 -78.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 72.400000000000006 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -61.13 -35.4 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.439999999999998 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.409999999999997 110.827 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 71.010000000000005 110.831 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.705 HD11 HD13 ' A' ' 5' ' ' ILE . 3.5 tp -84.96 -75.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.906 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.69 27.25 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 64.540000000000006 111.168 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.32 -3.85 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 43.130000000000003 110.849 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.705 HD13 HD11 ' A' ' 2' ' ' LEU . 5.2 mp -140.85 -46.59 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.519999999999996 111.139 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD13 ' OG ' ' A' ' 33' ' ' SER . 8.2 mt -125.93 158.51 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.120000000000005 110.917 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.06 160.44 78.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 63.329999999999998 110.856 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 70.019999999999996 112.374 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.4 p -53.96 -46.26 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.430000000000007 110.844 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.1 -35.36 73.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.230000000000004 110.847 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.33 -52.86 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 62.240000000000002 111.122 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.69 -23.38 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.420000000000002 111.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.47 -23.38 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 52.5 111.089 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.32 -26.83 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 52.200000000000003 111.091 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD13 ' HG2' ' A' ' 71' ' ' GLU . 51.4 mt -69.77 -55.22 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.230000000000004 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -70.53 -11.91 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.450000000000003 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.79 -40.56 61.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 70.420000000000002 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -134.42 36.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 52.310000000000002 110.882 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.42 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.299999999999997 110.875 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.12 151.89 4.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 40.219999999999999 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.36 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 54.439999999999998 112.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t0 62.89 16.2 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.07 -37.53 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 55.43 110.889 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.95 170.27 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 73.200000000000003 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -157.73 148.89 16.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 61.350000000000001 110.853 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.82 -11.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 53.299999999999997 112.334 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.92 25.28 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 54.340000000000003 110.889 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.94 18.36 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 110.872 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -118.75 -20.27 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.310000000000002 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -82.96 -8.85 59.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.4 -38.65 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.140000000000001 110.91 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.5 mp -88.58 -25.91 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.150000000000006 111.093 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.626 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.3 t -94.69 -69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.140000000000001 110.852 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.87 31.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 61.450000000000003 112.474 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.599 ' O ' HD21 ' A' ' 43' ' ' LEU . 53.5 mtp -63.33 -49.98 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 55.340000000000003 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' HG12 ' A' ' 106' ' ' VAL . 83.0 p -54.01 -33.39 57.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.229999999999997 110.891 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -63.8 -15.98 60.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 75.439999999999998 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.21 158.94 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 65.150000000000006 110.94 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 t -73.81 -179.72 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 72.299999999999997 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -16.6 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 64.129999999999995 110.848 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -89.65 -11.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.010000000000005 110.851 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -94.5 -35.7 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.019999999999996 110.88 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 106' ' ' VAL . 2.8 mt -73.13 -20.29 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -23.0 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.25 110.866 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.22 -46.64 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 52.130000000000003 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.2 mp -55.8 -37.51 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 61.219999999999999 111.15 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -39.57 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 64.439999999999998 110.893 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -12.96 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 70.340000000000003 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.7 mm -99.04 -13.03 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.409999999999997 111.169 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.48 -25.75 17.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 110.93 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -69.16 117.46 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.18 10.62 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.200000000000003 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -1.65 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 52.54 20.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 55.210000000000001 110.906 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -71.07 -27.8 63.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.510000000000005 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.04 -16.55 7.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 54.439999999999998 112.452 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -133.0 169.28 17.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 74.239999999999995 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mt -116.98 83.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.120000000000005 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.31 174.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.099999999999994 110.898 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -62.86 -31.01 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 65.109999999999999 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.97 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.409999999999997 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -113.49 -29.45 7.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -58.6 -42.15 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 40.520000000000003 110.932 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 8.5 ptpt -51.4 -29.51 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.099999999999994 110.912 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 76' ' ' VAL . 80.7 m-85 -94.66 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 70.219999999999999 110.933 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -79.06 -25.34 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.340000000000003 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.74 -13.14 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 63.539999999999999 110.922 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -0.48 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 110.904 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -99.39 -30.99 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 70.140000000000001 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.558 ' O ' HD11 ' A' ' 15' ' ' LEU . 60.8 m-85 -104.88 -18.15 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.340000000000003 110.892 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -113.81 -24.81 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.520000000000003 110.892 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.9 p 48.14 61.89 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 42.020000000000003 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.22 -15.36 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 65.209999999999994 112.479 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.55 175.64 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 65.319999999999993 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.7 -170.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 62.420000000000002 110.882 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.9 m -106.68 -166.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 54.229999999999997 111.184 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 67' ' ' LEU . 52.9 mt -103.92 134.67 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.049999999999997 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 10.5 t -76.35 -179.25 5.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.151 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 -11.76 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.219999999999999 111.081 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 33.8 t -104.64 -8.06 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 78' ' ' THR . 18.4 mm-40 -98.39 -58.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.319999999999993 110.858 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.613 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.13 -48.96 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.530000000000001 111.172 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.09 -46.57 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.540000000000006 110.919 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.5 m -55.68 -53.0 61.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 75.530000000000001 111.133 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -54.32 -48.34 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.340000000000003 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 15.4 tp -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.409999999999997 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.11 2.69 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.8 -15.12 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 52.210000000000001 111.115 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.44 -55.9 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.329999999999998 111.134 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.603 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.41 -72.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.209999999999994 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 61.88 10.84 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 71.319999999999993 110.811 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.15 -14.29 15.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 53.140000000000001 110.854 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.93 73.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 70.120000000000005 112.488 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.5 -39.22 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 74.340000000000003 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.69 18.13 52.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 74.450000000000003 112.505 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 120.85 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.709 0.29 . . . . 70.120000000000005 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.603 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.9 mm -73.28 153.05 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 111.145 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -138.53 -148.66 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 33.399999999999999 112.502 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.59 1.27 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 51.140000000000001 111.061 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.96 -0.45 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -133.31 5.35 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.209999999999994 110.905 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -94.01 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.319999999999993 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -37.43 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 72.049999999999997 110.858 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.29 -31.42 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.310000000000002 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.774 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.0 OUTLIER -82.12 -15.64 52.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.230000000000004 110.89 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 43' ' ' LEU . 13.8 t -84.22 -78.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -35.59 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 63.530000000000001 110.901 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.430000000000007 110.851 -179.799 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.959 0.409 . . . . 64.120000000000005 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.868 HD21 HD13 ' A' ' 5' ' ' ILE . 18.1 tp -85.65 -74.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 75.010000000000005 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.4 29.75 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 60.420000000000002 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -126.51 -1.66 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 110.843 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.868 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -143.23 -67.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.219999999999999 111.102 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD13 ' OG ' ' A' ' 33' ' ' SER . 12.3 mt -96.94 159.09 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 42.240000000000002 110.934 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 160.86 77.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 65.219999999999999 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.84 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 71.510000000000005 112.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -53.7 -46.63 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 60.439999999999998 110.813 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.3 -35.01 73.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.885 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.74 -52.84 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.68 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 23.149999999999999 111.124 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.95 -25.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 51.109999999999999 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -88.35 -45.85 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 54.140000000000001 111.121 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 70' ' ' PHE . 15.1 mt -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.9 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -73.29 -31.64 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.430000000000007 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.95 -40.22 63.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.549999999999997 110.916 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.1 m -138.95 41.15 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 65.040000000000006 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -55.67 -37.62 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.931 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.21 153.3 3.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 64.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.93 52.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 75.400000000000006 112.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 54.91 26.44 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.310000000000002 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -111.27 -24.12 10.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.439999999999998 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.68 175.1 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 51.200000000000003 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -149.94 152.55 34.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 74.319999999999993 110.884 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.679 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.76 -12.25 32.51 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 72.239999999999995 112.365 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 22.39 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.040000000000006 110.94 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -131.88 14.88 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 62.240000000000002 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.5 -9.44 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.510000000000005 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -90.48 -13.79 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.350000000000001 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.44 -31.92 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.409999999999997 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.3 mp -94.87 -31.12 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 64.219999999999999 111.148 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.667 ' OG ' HD13 ' A' ' 6' ' ' LEU . 7.5 t -88.31 -69.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.519999999999996 110.834 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.599 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.62 30.06 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 33.32 112.458 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.614 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.3 mtp -63.07 -54.06 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 45.43 110.829 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -34.06 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.430000000000007 110.841 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -59.61 -20.71 57.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -162.24 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.099999999999994 110.91 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -120.88 160.43 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.47 -25.37 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 61.130000000000003 110.867 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -27.94 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.230000000000004 110.865 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -86.99 -30.75 21.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.420000000000002 110.887 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.905 HD22 HG11 ' A' ' 106' ' ' VAL . 2.4 mt -78.37 -20.57 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.932 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -16.34 60.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.91 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.55 -50.78 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.400000000000006 110.882 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.7 mt -50.86 -34.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 111.083 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -37.74 68.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -11.87 54.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.845 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.3 mm -99.33 -13.37 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 111.173 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.83 -25.72 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 65.420000000000002 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -69.6 118.64 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 71.239999999999995 110.922 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.93 9.59 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.219999999999999 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.12 -0.61 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 62.219999999999999 110.887 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 52.86 20.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 60.539999999999999 110.921 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.77 -23.49 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.450000000000003 110.812 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.99 -11.52 17.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 72.420000000000002 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -133.58 164.4 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.299999999999997 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.66 89.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 62.100000000000001 111.144 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.02 174.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.219999999999999 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.12 -33.02 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.519999999999996 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -61.65 -16.65 50.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 62.450000000000003 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.6 -18.13 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 72.439999999999998 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.72 -29.71 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 61.130000000000003 110.892 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -19.81 62.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.848 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -95.14 21.01 8.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 72.239999999999995 110.946 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -55.52 -32.09 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.120000000000005 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 77' ' ' LEU . 1.1 mt -80.69 -14.52 58.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 51.399999999999999 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 6.78 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.310000000000002 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -103.62 -30.76 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.120000000000005 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.575 ' CB ' HD11 ' A' ' 15' ' ' LEU . 68.2 m-85 -100.04 -26.15 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.891 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.6 tt0 -111.72 -34.22 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 73.099999999999994 110.881 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t 62.96 59.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 64.439999999999998 110.875 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.32 -20.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 74.310000000000002 112.45 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 174.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 52.43 111.127 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -174.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.409999999999997 110.872 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -113.06 151.68 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 111.096 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 67' ' ' LEU . 24.4 mt -57.04 134.43 55.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.430000000000007 110.893 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 80' ' ' SER . 10.2 t -77.31 -175.57 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.430000000000007 111.124 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.89 -9.65 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.510000000000005 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 78' ' ' THR . 31.6 t -110.13 -4.81 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 70.030000000000001 110.826 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 78' ' ' THR . 40.6 mt-10 -98.53 -60.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.140000000000001 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.77 -48.57 59.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.139 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -51.1 -46.68 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 63.439999999999998 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 26' ' ' PRO . 29.3 m -59.69 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.25 111.127 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.43 -47.52 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.209999999999994 110.859 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' HA ' HD11 ' A' ' 97' ' ' ILE . 10.0 tp -64.6 -36.45 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 70.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.68 1.63 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 111.127 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.78 -16.64 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.209999999999994 111.122 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -114.87 -55.92 2.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.430000000000007 111.073 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 32.6 t70 -59.06 -71.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 51.100000000000001 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 60.27 9.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 72.439999999999998 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 -105.55 -18.65 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.34 16.79 73.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 62.200000000000003 112.482 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.35 -33.75 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 72.120000000000005 110.872 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.33 56.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 25.43 112.48 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.24 126.85 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 74.219999999999999 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 89' ' ' ALA . 49.2 mm -71.83 145.06 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' A' ' 101' ' ' GLU . . . -122.93 157.07 17.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 55.039999999999999 112.494 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -4.51 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 61.100000000000001 111.144 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -104.58 -21.08 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.549999999999997 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 98' ' ' GLY . 3.7 pt-20 -111.43 0.12 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 72.439999999999998 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -78.21 -67.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 71.310000000000002 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.46 31.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.05 -30.34 61.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.876 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.79 -16.77 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 54.509999999999998 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.905 HG11 HD22 ' A' ' 43' ' ' LEU . 20.5 t -80.61 -77.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.450000000000003 111.158 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -65.53 -35.05 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 74.439999999999998 110.826 -179.792 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.896 0.379 . . . . 73.140000000000001 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 5' ' ' ILE . 1.1 mt 69.42 -75.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 55.539999999999999 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.8 24.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 111.188 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.3 -12.08 15.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.310000000000002 110.896 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.526 ' CD1' HD13 ' A' ' 2' ' ' LEU . 2.2 mp -118.08 -46.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 111.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.4 mt -131.06 158.91 39.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 75.340000000000003 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.6 160.9 78.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.723 0.773 . . . . 75.239999999999995 110.797 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 55.210000000000001 112.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.38 -46.57 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.837 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.52 -35.37 74.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 64.519999999999996 110.851 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.5 mt -75.51 -50.7 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 111.127 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.46 -26.6 43.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.118 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.66 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 62.109999999999999 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.420000000000002 111.14 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 55.4 mt -57.83 -50.45 73.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.219999999999999 110.929 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 72.310000000000002 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.28 -44.21 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.239999999999995 110.884 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 m -134.06 41.35 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 32.420000000000002 110.913 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.19 -31.48 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.010000000000005 110.945 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.18 150.6 2.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.542 0.687 . . . . 63.149999999999999 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.78 65.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 64.25 112.379 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.43 33.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 73.409999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.97 -35.35 3.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 110.805 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.8 174.99 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.5 110.9 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.85 155.39 31.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 72.010000000000005 110.816 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.77 -12.7 33.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 75.420000000000002 112.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 35.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.310000000000002 110.882 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -129.04 20.82 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.905 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 0.23 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.879 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -106.63 -13.31 15.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.129999999999995 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -91.27 -29.47 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 65.420000000000002 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -99.57 -24.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 65.510000000000005 111.184 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.2 t -99.06 -68.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 64.430000000000007 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.26 33.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 51.420000000000002 112.478 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.56 ' O ' HD21 ' A' ' 43' ' ' LEU . 50.2 mtp -63.24 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 73.040000000000006 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.8 p -53.95 -35.25 61.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 64.340000000000003 110.874 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.76 -15.56 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 72.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -84.34 -163.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -120.62 158.74 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 110.869 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.421 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.65 -31.61 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.815 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -73.6 -35.52 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 72.200000000000003 110.864 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -73.57 -46.35 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 74.120000000000005 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -62.65 -18.29 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.049999999999997 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -26.66 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.099999999999994 110.925 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.35 -46.01 89.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 50' ' ' LEU . 5.1 mt -53.17 -40.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 71.230000000000004 111.117 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -40.15 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -12.47 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.319999999999993 110.835 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.3 mm -97.74 -17.24 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.329999999999998 111.103 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -92.0 -25.5 18.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.901 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.46 117.8 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 63.240000000000002 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.73 -2.5 21.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 61.130000000000003 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.34 0.25 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.530000000000001 110.846 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.28 22.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -69.08 -14.83 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.901 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.63 -20.35 18.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 32.109999999999999 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -132.45 171.79 13.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 74.040000000000006 110.916 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -119.37 100.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.230000000000004 111.135 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.56 167.64 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 65.329999999999998 110.883 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -53.17 -29.85 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.450000000000003 110.842 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -61.84 -22.62 65.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.120000000000005 110.869 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.21 -17.43 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.886 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.29 -29.5 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.129999999999995 110.925 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.5 ptpt -62.28 -28.6 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 65.019999999999996 110.862 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 76' ' ' VAL . 74.7 m-85 -91.61 23.54 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.049999999999997 110.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.77 -28.89 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 73.439999999999998 110.906 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.91 -13.73 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.96 6.01 30.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 70.349999999999994 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -104.7 -30.64 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.319999999999993 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.514 ' CB ' HD11 ' A' ' 15' ' ' LEU . 37.0 m-85 -101.06 -18.83 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.822 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -116.71 -22.65 8.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p 48.36 60.87 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.329999999999998 110.834 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.51 -18.43 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 70.310000000000002 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 178.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 74.420000000000002 111.088 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.61 175.15 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.319999999999993 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.7 m -93.26 -168.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 67' ' ' LEU . 78.8 mt -103.86 139.71 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.209999999999994 110.876 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.87 -177.42 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 53.439999999999998 111.18 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.11 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 111.097 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -108.47 -8.5 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 41.140000000000001 110.868 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 78' ' ' THR . 5.8 mm-40 -96.21 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.219999999999999 110.86 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.53 -48.46 63.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.167 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.58 -49.67 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.150000000000006 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.7 m -52.36 -56.49 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 62.520000000000003 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.85 -47.43 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.91 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 29.3 tp -63.81 -34.3 77.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 73.030000000000001 110.921 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.02 3.28 49.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.019999999999996 111.132 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.76 -16.82 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 55.039999999999999 111.064 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.95 -56.06 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.039999999999999 111.081 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.626 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.16 -69.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.400000000000006 110.882 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 55.39 17.21 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 71.430000000000007 110.883 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.06 -11.94 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.87 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.8 78.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 73.239999999999995 112.438 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.23 -39.44 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 62.340000000000003 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.37 41.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 53.310000000000002 112.5 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.3 119.84 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 74.439999999999998 110.906 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.626 HD13 ' OD2' ' A' ' 90' ' ' ASP . 13.6 mm -68.78 152.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 63.240000000000002 111.148 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -134.28 -148.97 5.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.099999999999994 112.449 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.71 -1.58 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 54.219999999999999 111.114 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -113.89 -2.47 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.430000000000007 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.07 0.06 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.140000000000001 110.914 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HD2' HG21 ' A' ' 97' ' ' ILE . 44.0 t80 -86.52 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 62.32 110.856 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -50.78 -36.73 38.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 62.200000000000003 110.904 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -31.97 63.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 64.219999999999999 110.898 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.636 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -81.5 -16.17 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.340000000000003 110.864 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 43' ' ' LEU . 15.0 t -83.08 -78.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.420000000000002 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -62.03 -35.57 78.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.120000000000005 110.917 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.219999999999999 110.802 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 75.329999999999998 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 5' ' ' ILE . 14.2 tp -84.29 -74.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.44 30.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 52.409999999999997 111.149 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -1.07 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.450000000000003 110.905 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.737 HD13 HD21 ' A' ' 2' ' ' LEU . 5.4 mp -142.58 -67.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 52.299999999999997 111.167 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 34' ' ' GLY . 7.0 mt -97.11 158.7 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.019999999999996 110.922 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.51 160.51 77.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.748 . . . . 70.439999999999998 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 62.119999999999997 112.355 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -46.9 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.219999999999999 110.865 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.75 -34.27 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 75.040000000000006 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.2 -51.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 70.010000000000005 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.87 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 45.229999999999997 111.079 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.73 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 111.084 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.98 -34.24 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 61.530000000000001 111.102 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.638 HD11 ' O ' ' A' ' 70' ' ' PHE . 21.6 mt -59.76 -56.43 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 71.040000000000006 110.912 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -29.94 68.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.240000000000002 110.907 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -51.28 -47.97 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.239999999999995 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -135.84 42.96 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.209999999999994 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -57.8 -36.6 72.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 64.420000000000002 110.954 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.18 4.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 64.439999999999998 111.142 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.74 65.72 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 72.540000000000006 112.334 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.58 35.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.219999999999999 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -117.72 -1.44 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.510000000000005 110.833 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.93 169.87 12.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.510000000000005 110.875 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.72 162.3 52.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.683 0.754 . . . . 71.540000000000006 110.854 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.732 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.3 Cg_endo -69.8 -11.22 30.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 72.010000000000005 112.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 25.77 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.76 9.76 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.329999999999998 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.68 -29.54 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.310000000000002 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -69.18 -10.91 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.510000000000005 110.88 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -86.73 -32.26 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 72.450000000000003 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.3 mp -96.96 -28.59 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 75.219999999999999 111.137 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB2' HD13 ' A' ' 6' ' ' LEU . 91.6 p -90.14 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 50.32 110.859 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 120.51 34.3 0.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 72.340000000000003 112.445 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.2 mtp -64.72 -51.45 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 72.030000000000001 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 106' ' ' VAL . 9.7 p -53.18 -33.28 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.420000000000002 110.881 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -60.57 -20.63 61.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -84.21 -165.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.849 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -121.06 179.29 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.32 52.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.109999999999999 110.88 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 m -98.87 -19.37 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.209999999999994 110.859 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -92.99 -46.93 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 75.209999999999994 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.708 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.5 mt -59.34 -22.58 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 110.929 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.43 -27.16 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 5' ' ' ILE . 58.8 mm-40 -61.16 -23.79 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 54.520000000000003 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 ' NH2' ' A' ' 69' ' ' ARG . 6.1 mt -77.46 -31.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 64.439999999999998 111.132 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -25.29 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.349999999999994 110.903 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 0.24 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.219999999999999 110.858 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.0 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 64.349999999999994 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.628 HD21 HH11 ' A' ' 69' ' ' ARG . 1.5 mp -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 62.219999999999999 110.947 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -67.42 117.28 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.509999999999998 110.874 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.1 -5.12 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.430000000000007 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -0.81 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 55.009999999999998 110.878 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.85 21.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 70.510000000000005 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -14.19 62.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 64.109999999999999 110.902 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.87 -20.59 17.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.200000000000003 112.479 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.01 170.19 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 75.349999999999994 110.853 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -118.34 94.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.11 165.09 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 73.450000000000003 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.27 -27.43 22.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 44.219999999999999 110.875 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.22 -24.27 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.340000000000003 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 -31.89 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.0 -26.85 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -64.46 -9.37 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.916 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' HG12 ' A' ' 76' ' ' VAL . 10.6 m-85 -100.26 48.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.340000000000003 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 67' ' ' LEU . 73.4 t80 -80.25 -19.8 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 75.030000000000001 110.885 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -99.03 -9.4 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.450000000000003 110.892 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 1.7 57.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 61.109999999999999 110.958 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.628 HH11 HD21 ' A' ' 50' ' ' LEU . 5.4 ptm180 -105.84 -30.21 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.400000000000006 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' O ' HD11 ' A' ' 15' ' ' LEU . 63.0 m-85 -98.44 -23.82 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 72.040000000000006 110.864 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -113.67 -34.01 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t 63.56 65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 61.509999999999998 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.73 -16.19 1.41 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 60.210000000000001 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -176.24 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 74.510000000000005 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -81.24 176.46 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.430000000000007 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG12 ' CE1' ' A' ' 65' ' ' TYR . 4.3 m -95.87 -168.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 64.140000000000001 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.5 mt -104.47 140.58 37.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.010000000000005 110.947 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 80' ' ' SER . 9.6 t -76.74 -179.41 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.420000000000002 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.5 -8.85 54.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.219999999999999 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.793 ' H ' HG23 ' A' ' 78' ' ' THR . 47.2 t -104.07 -12.05 16.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.82 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.782 ' HG3' HG22 ' A' ' 78' ' ' THR . 2.1 mt-10 -95.02 -61.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.299999999999997 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -51.6 -48.72 63.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.510000000000005 111.123 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -49.86 -46.08 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 55.539999999999999 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.732 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -57.91 -57.69 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 72.329999999999998 111.155 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.32 -51.11 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.530000000000001 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 1.1 tp -63.54 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.240000000000002 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.99 -2.62 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.409999999999997 111.084 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.58 -14.55 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 111.086 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -116.93 -55.84 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 64.400000000000006 111.102 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 3.9 t70 -61.08 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 55.039999999999999 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 54.71 14.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.514 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 10.7 m-20 -105.61 -17.78 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.409999999999997 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.3 61.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 61.210000000000001 112.489 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -100.59 -17.85 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.450000000000003 110.895 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.28 19.99 79.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 43.329999999999998 112.496 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.17 133.89 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 54.119999999999997 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 89' ' ' ALA . 35.2 mm -88.25 144.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -119.3 -172.45 15.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 44.43 112.511 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 4.81 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.340000000000003 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.7 2.68 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 64.099999999999994 110.892 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -127.58 -0.42 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.886 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -93.11 -59.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.010000000000005 110.868 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 52.049999999999997 110.911 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.0 -31.18 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 64.349999999999994 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -81.08 -17.67 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 60.409999999999997 110.86 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.708 HG11 ' CD2' ' A' ' 43' ' ' LEU . 16.7 t -79.89 -77.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.230000000000004 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.099999999999994 110.949 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 75.239999999999995 110.851 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.906 0.384 . . . . 52.509999999999998 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.036 HD21 HD13 ' A' ' 5' ' ' ILE . 19.2 tp -52.19 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 74.340000000000003 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.37 29.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 75.239999999999995 111.13 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -122.26 -4.05 8.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.120000000000005 110.904 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 1.036 HD13 HD21 ' A' ' 2' ' ' LEU . 5.4 mp -139.98 -40.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 63.229999999999997 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.737 HD13 ' OG ' ' A' ' 33' ' ' SER . 10.5 mt -125.4 159.25 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.109999999999999 110.917 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.59 160.4 79.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.675 0.75 . . . . 71.129999999999995 110.854 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 73.299999999999997 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -58.78 -21.13 55.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 61.119999999999997 110.889 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.64 -35.43 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 71.099999999999994 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.2 mt -80.31 -40.34 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.530000000000001 111.142 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 -21.22 63.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 35.109999999999999 111.105 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.12 -23.87 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.319999999999993 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.47 -32.15 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.510000000000005 111.054 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 70' ' ' PHE . 30.4 mt -58.56 -60.11 4.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 41.520000000000003 110.92 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -67.33 -30.43 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.540000000000006 110.857 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.73 -39.49 52.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 64.519999999999996 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -141.54 40.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 63.539999999999999 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -66.23 -33.3 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.140000000000001 110.925 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.32 15.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.547 0.689 . . . . 54.140000000000001 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 150.74 68.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 74.209999999999994 112.321 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 42.83 34.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 70.129999999999995 110.878 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.51 10.94 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.319999999999993 110.845 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.64 176.26 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.894 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.18 160.2 40.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.400000000000006 110.885 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.5 Cg_endo -69.76 -14.61 36.33 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 74.129999999999995 112.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.7 32.69 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 54.43 110.935 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -133.36 13.29 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.09 -16.81 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.319999999999993 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -84.82 -12.08 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 75.310000000000002 110.874 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -82.95 -38.53 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.109999999999999 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -87.27 -31.32 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.737 ' OG ' HD13 ' A' ' 6' ' ' LEU . 1.4 t -88.55 -68.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.400000000000006 110.875 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.07 29.22 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.5 mtp -59.91 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 70.349999999999994 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 p -54.33 -34.79 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 51.420000000000002 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.91 -15.9 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.864 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.01 -161.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 71.310000000000002 110.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -120.62 159.05 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.349999999999994 110.806 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.554 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.03 -45.75 52.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 71.010000000000005 110.845 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 t -61.27 -36.77 80.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.875 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -73.68 -36.52 65.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.120000000000005 110.94 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 106' ' ' VAL . 4.1 mt -74.27 -13.46 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -73.41 -31.5 63.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.36 -49.18 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.109999999999999 110.864 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -52.67 -43.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.299999999999997 111.147 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -38.2 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 41.049999999999997 110.871 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.79 58.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.838 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.7 -13.28 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.122 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.44 -25.56 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.92 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -70.05 118.69 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.439999999999998 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.32 15.74 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.509999999999998 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.25 0.89 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.409999999999997 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 51.37 21.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.319999999999993 110.919 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -73.98 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.510000000000005 110.885 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.36 -11.58 21.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 43.32 112.452 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.23 166.85 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 72.129999999999995 110.875 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.87 89.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 73.409999999999997 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.07 175.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.430000000000007 110.893 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.35 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 70.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -61.39 -17.9 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 72.510000000000005 110.831 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.48 -18.06 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.109999999999999 110.872 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -73.91 -28.58 61.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.420000000000002 110.906 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.4 ptpt -60.65 -24.62 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.299999999999997 110.924 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.429 ' CD1' HG12 ' A' ' 76' ' ' VAL . 25.1 m-85 -93.1 22.25 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 53.420000000000002 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 77' ' ' LEU . 51.2 t80 -56.3 -24.98 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 63.140000000000001 110.881 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -87.75 -14.95 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.409999999999997 110.904 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.34 12.44 10.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.049999999999997 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -107.67 -31.16 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.120000000000005 110.865 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.704 ' HB2' HD21 ' A' ' 15' ' ' LEU . 94.5 m-85 -98.21 -21.58 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.049999999999997 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 2.6 tm-20 -117.44 -31.8 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 54.299999999999997 110.887 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 63.42 55.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.89 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.24 -21.24 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.319999999999993 112.503 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.89 176.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 64.150000000000006 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG3' HD12 ' A' ' 67' ' ' LEU . 2.8 ptp180 -69.34 -174.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.299999999999997 110.876 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -109.58 -168.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 62.219999999999999 111.153 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 67' ' ' LEU . 23.5 mt -104.25 131.83 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.835 HG23 ' H ' ' A' ' 80' ' ' SER . 11.8 t -76.69 -177.03 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 75.150000000000006 111.154 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.42 -11.78 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 42.009999999999998 111.098 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.835 ' H ' HG23 ' A' ' 78' ' ' THR . 44.9 t -105.91 -6.35 18.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.871 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.2 mt-10 -99.26 -59.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.129999999999995 110.919 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.97 -48.46 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.239999999999995 111.162 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -50.08 -46.66 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.439999999999998 110.893 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.646 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.6 m -59.44 -58.46 8.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.310000000000002 111.162 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -52.23 -47.77 65.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 71.530000000000001 110.899 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HA ' HD11 ' A' ' 97' ' ' ILE . 11.6 tp -64.16 -36.58 84.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 64.420000000000002 110.932 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.29 3.0 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 54.149999999999999 111.091 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.92 -16.28 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.129999999999995 111.145 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.17 -56.16 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 55.350000000000001 111.056 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 31.9 t70 -59.05 -71.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 73.299999999999997 110.864 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 60.44 10.06 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.120000000000005 110.874 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.6 m-20 -105.63 -19.76 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.71 16.66 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 54.109999999999999 112.537 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.34 -38.23 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 75.430000000000007 110.871 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.04 13.86 38.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 62.32 112.495 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 126.14 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 71.129999999999995 110.915 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 46.8 mm -74.29 143.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 111.138 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.26 174.91 15.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 72.409999999999997 112.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.37 4.62 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 64.450000000000003 111.098 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -115.0 -19.75 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.872 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -113.09 6.66 17.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 55.119999999999997 110.902 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -88.22 -65.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.319999999999993 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -37.2 41.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 72.219999999999999 110.885 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -32.83 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 71.219999999999999 110.894 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.411 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -79.69 -16.46 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 52.32 110.89 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 43' ' ' LEU . 17.5 t -81.55 -77.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.14 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -63.02 -35.37 79.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.140000000000001 110.882 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 50.140000000000001 110.896 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 65.310000000000002 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.927 HD21 HD13 ' A' ' 5' ' ' ILE . 20.9 tp -111.05 -73.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.951 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 47.6 28.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.140000000000001 111.158 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -123.37 -2.09 8.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 73.310000000000002 110.865 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.927 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -143.15 -47.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' C ' ' A' ' 34' ' ' GLY . 9.2 mt -125.83 159.42 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 34.420000000000002 110.928 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.47 160.42 79.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 73.340000000000003 110.916 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.02 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.238 . . . . 64.430000000000007 112.347 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -46.83 71.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.219999999999999 110.812 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 33' ' ' SER . 1.2 m-20 -59.62 -35.09 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.25 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -75.6 -50.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 111.103 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -30.87 48.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.329999999999998 111.089 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.16 -23.93 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.310000000000002 111.121 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -91.16 -45.04 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 50.409999999999997 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 71' ' ' GLU . 38.3 mt -57.67 -50.45 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.319999999999993 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -71.52 -31.48 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.129999999999995 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -46.13 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.049999999999997 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.8 m -136.05 42.61 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.409999999999997 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.25 -38.46 71.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 61.310000000000002 110.909 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.95 148.55 13.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 31.199999999999999 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.08 69.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 71.230000000000004 112.374 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 60.06 18.51 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.329999999999998 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.95 -12.17 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 110.879 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.34 166.85 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 63.130000000000003 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.22 161.18 35.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.687 0.756 . . . . 61.509999999999998 110.852 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.724 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.77 -11.3 30.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 72.530000000000001 112.352 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.28 32.65 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.120000000000005 110.891 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -127.93 20.16 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 110.905 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.49 7.06 8.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -115.55 -10.35 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.150000000000006 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -94.64 -25.46 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 71.129999999999995 110.93 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.1 mp -99.47 -25.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 65.030000000000001 111.158 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 19.8 p -100.35 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.519999999999996 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.98 37.99 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 64.299999999999997 112.555 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 43' ' ' LEU . 46.7 mtp -66.01 -48.68 70.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 72.299999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 p -54.15 -33.3 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.83 -13.5 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 53.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -93.13 154.85 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 110.884 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -74.99 160.54 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 60.340000000000003 110.838 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.58 -29.32 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.450000000000003 110.919 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -74.24 -33.5 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 61.219999999999999 110.842 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -70.07 -48.0 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 62.549999999999997 110.901 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.722 ' CD2' HG11 ' A' ' 106' ' ' VAL . 3.7 mt -62.32 -20.91 64.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.120000000000005 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -70.7 -21.24 62.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 110.88 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB2' HD11 ' A' ' 5' ' ' ILE . 28.0 mm-40 -61.51 -46.57 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.209999999999994 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.7 mp -58.93 -36.85 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.219999999999999 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.33 -37.59 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 73.109999999999999 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -10.91 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.439999999999998 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.58 -14.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 63.420000000000002 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -90.16 -25.72 20.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.230000000000004 110.894 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.29 118.77 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 62.409999999999997 110.867 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.52 8.45 31.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.430000000000007 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -0.55 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 110.873 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 52.81 20.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.109999999999999 110.895 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -69.8 -25.56 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.329999999999998 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.72 10.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 70.409999999999997 112.473 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -133.28 166.87 21.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 72.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.67 95.98 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.189 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.66 176.38 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.129999999999995 110.9 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.59 -33.5 74.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.340000000000003 110.889 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.85 -17.99 53.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 75.439999999999998 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.85 -19.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 71.120000000000005 110.87 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -71.94 -29.11 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 63.140000000000001 110.921 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 7.3 ptpt -61.94 -24.48 67.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 70.019999999999996 110.934 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 76' ' ' VAL . 23.4 m-85 -92.13 21.61 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.540000000000006 110.948 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.6 t80 -56.45 -26.32 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 65.109999999999999 110.923 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.29 -12.1 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.120000000000005 110.897 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.17 13.24 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.140000000000001 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -109.85 -31.1 7.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.129999999999995 110.848 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.73 -23.5 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.400000000000006 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.9 tp10 -116.07 -29.34 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 45.350000000000001 110.839 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 t 63.45 57.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.865 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.52 -18.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.240000000000002 112.461 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 179.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 61.229999999999997 111.055 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.04 175.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -98.58 -167.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 67' ' ' LEU . 46.0 mt -103.76 136.95 42.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 64.409999999999997 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.76 -177.94 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 72.439999999999998 111.158 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -9.58 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 55.350000000000001 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.805 ' H ' HG23 ' A' ' 78' ' ' THR . 4.9 t -108.3 -7.6 15.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 55.240000000000002 110.903 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.728 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.3 mm-40 -95.67 -60.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 75.150000000000006 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -52.9 -48.73 67.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 72.5 111.168 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -49.69 -47.74 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.540000000000006 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.724 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.8 m -55.53 -56.86 15.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 71.439999999999998 111.117 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -52.21 -47.03 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.83 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.666 HD21 ' HA2' ' A' ' 95' ' ' GLY . 32.4 tp -63.87 -34.7 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.040000000000006 110.911 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.45 5.99 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 111.087 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.93 -16.04 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.606 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.99 -55.96 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 71.319999999999993 111.126 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.602 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -62.68 -69.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 73.150000000000006 110.915 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 56.89 15.65 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -115.88 -11.18 11.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 54.329999999999998 110.899 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.37 45.13 49.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 71.010000000000005 112.523 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.49 -16.83 14.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 62.210000000000001 110.844 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.666 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 68.03 10.79 59.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 42.329999999999998 112.492 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 123.57 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 74.340000000000003 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.602 HD13 ' OD2' ' A' ' 90' ' ' ASP . 8.3 mm -77.0 150.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.120000000000005 111.127 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.76 -156.45 7.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 42.109999999999999 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.69 37.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.722 0.296 . . . . 64.239999999999995 111.114 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -116.1 -2.93 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.319999999999993 110.896 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.506 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -131.67 6.95 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.510000000000005 110.906 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -95.84 -67.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 72.109999999999999 110.906 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -38.25 50.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.1 -32.81 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.340000000000003 110.84 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.606 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -79.56 -15.88 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.450000000000003 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.722 HG11 ' CD2' ' A' ' 43' ' ' LEU . 11.9 t -84.6 -78.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.120000000000005 111.146 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -61.48 -35.4 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.219999999999999 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 64.239999999999995 110.858 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.882 0.372 . . . . 75.239999999999995 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.642 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -50.75 -62.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 74.400000000000006 110.893 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.95 23.05 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.040000000000006 111.12 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -124.25 -4.42 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.837 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mp -132.61 -64.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 111.067 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.735 HD13 ' OG ' ' A' ' 33' ' ' SER . 22.7 mt -97.01 157.69 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -77.16 161.23 73.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 62.219999999999999 110.882 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 64.310000000000002 112.329 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.140000000000001 110.836 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.29 -34.91 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 71.140000000000001 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 17.4 mt -76.99 -52.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 65.239999999999995 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.84 -22.76 49.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.129999999999995 111.14 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.79 -28.82 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 61.509999999999998 111.11 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -83.67 -27.11 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.119999999999997 111.095 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 70' ' ' PHE . 14.0 mt -69.7 -55.38 10.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 73.540000000000006 110.925 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -24.99 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.140000000000001 110.835 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.67 -52.12 57.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.200000000000003 110.866 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -134.33 39.69 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.040000000000006 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -51.94 -36.94 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.530000000000001 110.909 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.49 149.78 7.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 74.400000000000006 111.097 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.43 53.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 53.210000000000001 112.348 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.84 28.48 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 62.420000000000002 110.86 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.55 8.09 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.893 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -132.82 -174.94 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 71.430000000000007 110.887 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 161.16 29.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.43 110.876 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HB2' ' HE1' ' A' ' 105' ' ' MET . 53.9 Cg_endo -69.74 -19.54 36.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.244 . . . . 63.539999999999999 112.362 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -116.13 30.91 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 53.549999999999997 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -134.94 15.63 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.129999999999995 110.858 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -111.96 -18.17 12.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 63.310000000000002 110.89 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -76.03 -16.54 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.349999999999994 110.835 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -80.7 -37.07 31.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.4 mp -91.15 -31.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 61.329999999999998 111.157 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.735 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.8 t -87.8 -70.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 31.399999999999999 110.841 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.717 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.53 28.41 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 63.329999999999998 112.513 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HD21 ' A' ' 43' ' ' LEU . 41.9 mtp -63.61 -49.14 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 75.519999999999996 110.892 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 106' ' ' VAL . 84.2 p -53.81 -35.7 61.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.219999999999999 110.828 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -63.98 -15.29 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.938 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.78 156.18 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 54.329999999999998 110.893 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 t -74.25 163.7 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.030000000000001 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -16.48 57.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 73.219999999999999 110.859 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -89.54 -23.58 21.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 71.099999999999994 110.861 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -80.94 -35.51 32.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.019999999999996 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.64 -19.45 61.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 74.439999999999998 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 4.1 mtmt -71.4 -28.39 63.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.430000000000007 110.903 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.05 -47.72 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 63.409999999999997 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.2 mp -61.66 -28.21 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 60.240000000000002 111.129 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.409999999999997 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.68 1.09 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.846 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ILE . 21.8 mm -112.11 -7.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 69' ' ' ARG . 3.6 mp -96.73 -26.65 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.450000000000003 110.877 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.65 117.27 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 64.329999999999998 110.895 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.25 12.27 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.7 2.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.822 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 50.71 21.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 110.912 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -71.93 -16.79 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 65.129999999999995 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.59 -11.32 42.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.756 . . . . 43.420000000000002 112.522 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.34 164.41 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 70.019999999999996 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.1 mt -118.63 95.27 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 51.399999999999999 111.162 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.27 175.06 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.119999999999997 110.9 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -60.48 -33.95 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.76 -18.37 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 61.140000000000001 110.872 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -116.38 -15.82 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.530000000000001 110.867 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -76.43 -29.86 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.922 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -62.21 -28.38 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.299999999999997 110.899 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -76.57 22.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.942 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 7.2 t80 -53.79 -41.2 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 75.040000000000006 110.906 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.741 HD23 ' N ' ' A' ' 67' ' ' LEU . 1.0 OUTLIER -78.71 -11.45 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.040000000000006 110.915 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.62 4.93 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.219999999999999 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' CZ ' HD21 ' A' ' 50' ' ' LEU . 30.9 mtp180 -102.18 -42.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 70.109999999999999 110.843 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.635 ' O ' HD11 ' A' ' 15' ' ' LEU . 56.0 m-85 -90.87 -26.91 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -103.34 -29.77 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.894 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t 58.18 62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 32.420000000000002 110.838 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.72 -12.34 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 74.420000000000002 112.474 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 71' ' ' GLU . . . -59.79 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 72.040000000000006 111.111 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -75.87 176.16 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 63.030000000000001 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 1.7 m -104.41 151.65 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 70.439999999999998 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 79.1 mt -55.77 140.22 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.040000000000006 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.845 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -77.31 -175.06 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 65.409999999999997 111.153 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.95 -4.87 37.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.510000000000005 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.845 ' H ' HG23 ' A' ' 78' ' ' THR . 38.0 t -113.57 -6.61 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 63.420000000000002 110.872 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 78' ' ' THR . 48.0 mm-40 -95.28 -63.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -48.33 -47.87 36.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 62.229999999999997 111.126 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -49.48 -46.66 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.420000000000002 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 26' ' ' PRO . 26.9 m -55.62 -57.89 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 62.240000000000002 111.15 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CD1' HD11 ' A' ' 63' ' ' LEU . 11.3 t80 -52.98 -44.36 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 75.349999999999994 110.945 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.554 HD11 ' OD2' ' A' ' 90' ' ' ASP . 30.2 tp -63.25 -26.7 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 71.540000000000006 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.4 3.21 55.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 70.0 111.095 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.65 -17.15 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.319999999999993 111.12 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.6 -53.85 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.409999999999997 111.1 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.554 ' OD2' HD11 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -58.11 -67.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.929 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 54.56 15.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.019999999999996 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -125.05 -18.14 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 61.200000000000003 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.48 44.19 22.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 70.510000000000005 112.502 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -101.14 -28.56 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.837 0.351 . . . . 74.040000000000006 110.855 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.06 10.61 68.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 72.439999999999998 112.482 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.47 128.67 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 64.040000000000006 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.7 mm -83.17 146.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 64.230000000000004 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.55 175.58 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 75.25 112.468 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.43 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -80.05 2.26 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 75.109999999999999 111.092 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -108.76 -9.28 15.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.010000000000005 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.78 9.88 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 72.430000000000007 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -91.84 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 71.129999999999995 110.851 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.41 55.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 70.010000000000005 110.944 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.9 -31.96 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.150000000000006 110.888 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.57 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.5 ppp? -82.46 -11.96 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.409999999999997 110.88 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.683 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.9 t -88.06 -76.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 63.210000000000001 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.41 -35.09 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 110.863 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.922 0.392 . . . . 73.420000000000002 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 5' ' ' ILE . 3.8 tp -95.36 -76.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.219999999999999 110.888 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 49.47 26.49 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 70.5 111.105 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -120.79 -4.54 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.200000000000003 110.896 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.718 HD13 HD11 ' A' ' 2' ' ' LEU . 4.9 mp -141.27 -42.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 70.439999999999998 111.111 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.631 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.0 mt -129.17 159.43 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 160.83 79.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.714 0.768 . . . . 74.150000000000006 110.803 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 64.200000000000003 112.345 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 p -53.51 -46.29 70.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.549999999999997 110.871 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.31 -35.08 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.409999999999997 110.835 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.23 -52.49 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 65.239999999999995 111.146 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -23.19 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 54.32 111.062 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 -23.87 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.009999999999998 111.06 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -93.36 -27.36 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 53.299999999999997 111.08 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 70' ' ' PHE . 43.7 mt -69.51 -51.69 33.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 65.409999999999997 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -70.48 -25.91 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 110.883 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.1 -47.76 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.829 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.18 43.61 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 72.439999999999998 110.911 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.11 -32.19 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.43 3.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 63.509999999999998 111.111 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.54 48.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 71.530000000000001 112.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 t0 57.57 21.97 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.893 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.11 -36.86 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 70.400000000000006 110.885 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.48 166.62 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 110.86 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 151.23 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 73.420000000000002 110.886 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.584 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.76 -13.7 35.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 73.310000000000002 112.346 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 21.72 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.420000000000002 110.908 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.38 17.14 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.109999999999999 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -118.27 -16.55 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.129999999999995 110.877 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -86.19 -9.64 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 110.868 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.25 -33.27 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 71.549999999999997 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -92.76 -26.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 74.109999999999999 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.631 ' OG ' HD13 ' A' ' 6' ' ' LEU . 6.1 t -96.53 -69.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.843 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.85 31.8 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 64.209999999999994 112.452 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.541 ' O ' HD21 ' A' ' 43' ' ' LEU . 54.3 mtp -62.41 -51.17 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 72.030000000000001 110.862 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 106' ' ' VAL . 80.4 p -54.26 -33.74 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 41.109999999999999 110.848 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.94 -14.6 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 72.349999999999994 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.33 -163.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.430000000000007 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -120.69 160.05 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.129999999999995 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.39 -48.23 56.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.520000000000003 110.853 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -58.68 -35.16 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 53.200000000000003 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -73.31 -48.66 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.409999999999997 110.924 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 HG11 ' A' ' 106' ' ' VAL . 4.5 mt -62.6 -18.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 51.340000000000003 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -70.2 -25.6 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.918 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB2' HD11 ' A' ' 5' ' ' ILE . 27.5 mt-10 -61.05 -46.23 91.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 71.310000000000002 110.905 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.9 mt -53.63 -39.19 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.400000000000006 111.142 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -34.76 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.120000000000005 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.15 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 72.5 110.893 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mm -103.1 -18.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 65.530000000000001 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.83 -25.68 20.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 74.349999999999994 110.916 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.18 118.23 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.299999999999997 110.875 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -3.32 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 110.92 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -0.52 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.150000000000006 110.869 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.69 21.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.94 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -16.06 63.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.319999999999993 110.846 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.28 -19.91 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.409999999999997 112.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -132.18 169.79 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 71.420000000000002 110.854 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 mt -118.39 104.03 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.019999999999996 111.125 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.53 162.09 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.230000000000004 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.5 -30.19 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.030000000000001 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.26 -26.2 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 65.439999999999998 110.895 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -111.06 -14.74 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.89 -29.79 61.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.909 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -61.68 -31.58 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.340000000000003 110.94 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.15 16.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.430000000000007 110.913 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -54.97 -32.38 61.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 64.209999999999994 110.935 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 77' ' ' LEU . 1.9 mt -81.78 -9.27 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 75.239999999999995 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.8 5.33 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.340000000000003 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -104.82 -30.82 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 110.854 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.525 ' O ' HD11 ' A' ' 15' ' ' LEU . 51.6 m-85 -103.97 -15.58 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.1 tp10 -117.31 -28.43 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.210000000000001 110.905 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m 51.65 63.97 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 61.399999999999999 110.861 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.24 -16.0 1.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 54.350000000000001 112.448 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.14 -179.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 75.400000000000006 111.061 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm85 -80.95 179.71 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.219999999999999 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.36 150.59 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.129999999999995 111.134 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 67' ' ' LEU . 72.9 mt -55.6 135.79 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.219999999999999 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.828 HG23 ' H ' ' A' ' 80' ' ' SER . 10.3 t -76.64 -178.51 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.115 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -10.83 55.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.120000000000005 111.101 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.828 ' H ' HG23 ' A' ' 78' ' ' THR . 26.1 t -108.74 -4.57 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 62.240000000000002 110.869 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.741 ' HG3' HG22 ' A' ' 78' ' ' THR . 3.8 mm-40 -99.95 -59.46 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 63.009999999999998 111.115 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -54.65 -46.68 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 71.219999999999999 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.584 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -58.06 -54.56 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.400000000000006 111.136 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.74 -47.11 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.329999999999998 110.903 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 21.8 tp -64.07 -38.02 89.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 75.450000000000003 110.911 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.34 -1.64 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.329999999999998 111.087 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.96 -18.21 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 63.299999999999997 111.099 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.89 -56.01 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 111.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 15.8 t70 -60.33 -71.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 44.130000000000003 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 46.54 24.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.439999999999998 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 94' ' ' ASP . 22.4 p30 -121.78 -11.99 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 110.901 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.83 54.29 3.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 75.120000000000005 112.512 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' CG ' ' OD1' ' A' ' 92' ' ' ASP . 66.4 m-20 -125.43 -15.49 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 71.439999999999998 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 63.75 12.94 49.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 71.230000000000004 112.484 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 136.36 26.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 64.340000000000003 110.889 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 89' ' ' ALA . 34.2 mm -87.4 147.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 53.439999999999998 111.12 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.83 -178.78 15.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.230000000000004 112.477 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.86 7.46 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 60.32 111.088 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -119.66 -5.82 10.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -129.21 3.01 5.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -86.51 -61.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -37.54 48.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.319999999999993 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -30.35 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.409999999999997 110.893 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.509 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -83.41 -16.51 45.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.944 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.794 HG11 HD22 ' A' ' 43' ' ' LEU . 13.9 t -83.14 -78.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 111.13 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -63.34 -35.47 80.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 53.539999999999999 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 53.350000000000001 110.881 -179.793 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.887 0.375 . . . . 74.409999999999997 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.987 HD21 HD13 ' A' ' 5' ' ' ILE . 19.5 tp -97.28 -73.23 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.05 28.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 61.240000000000002 111.118 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 5' ' ' ILE . 2.6 t70 -121.22 -4.11 9.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 64.150000000000006 110.882 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.987 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -139.96 -47.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 64.540000000000006 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 33' ' ' SER . 15.8 mt -125.81 159.05 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 70.030000000000001 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.5 160.89 78.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.704 0.764 . . . . 73.25 110.845 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 74.239999999999995 112.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 p -53.85 -46.33 71.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 54.340000000000003 110.898 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -59.47 -35.11 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 54.329999999999998 110.855 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -75.95 -52.96 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 111.146 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB1' HH12 ' A' ' 16' ' ' ARG . . . -56.54 -22.68 34.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 55.100000000000001 111.136 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.67 35.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 70.140000000000001 111.093 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.24 -27.21 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.319999999999993 111.113 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 71' ' ' GLU . 35.1 mt -69.57 -51.99 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 71.099999999999994 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.507 HH12 ' HB1' ' A' ' 12' ' ' ALA . 52.7 mtt85 -72.53 -26.11 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.439999999999998 110.887 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.03 -49.37 71.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 75.010000000000005 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.0 m -131.36 38.01 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.310000000000002 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.72 -36.52 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.400000000000006 110.929 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.85 153.3 4.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 61.240000000000002 111.135 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 149.82 67.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 71.040000000000006 112.348 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 43.01 34.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.420000000000002 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 m -113.29 -25.24 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.230000000000004 110.853 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.56 171.17 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 75.019999999999996 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 162.21 59.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 73.349999999999994 110.888 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.573 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.79 -10.71 29.19 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 74.040000000000006 112.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -118.7 2.06 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.140000000000001 110.911 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 32' ' ' ILE . 31.0 mmtp -102.9 7.34 39.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 110.891 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 9.3 t80 -106.9 -28.45 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.847 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.76 -8.06 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.230000000000004 110.883 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -88.36 -39.97 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.549999999999997 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.0 mp -86.7 -24.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.530000000000001 111.106 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.653 ' HB2' HD13 ' A' ' 6' ' ' LEU . 83.6 p -96.89 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.400000000000006 110.842 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.01 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 54.439999999999998 112.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.526 ' O ' HD21 ' A' ' 43' ' ' LEU . 35.3 mtp -72.98 -51.19 19.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.120000000000005 110.883 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.618 ' HA ' HG12 ' A' ' 106' ' ' VAL . 51.9 p -54.02 -33.24 56.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 52.329999999999998 110.885 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.31 -14.86 61.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 71.120000000000005 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -87.31 -164.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.239999999999995 110.864 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -120.66 155.83 33.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 64.239999999999995 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.44 -31.12 5.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 73.400000000000006 110.866 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -70.9 -43.77 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.450000000000003 110.929 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -71.78 -33.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.140000000000001 110.887 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CD2' HG11 ' A' ' 106' ' ' VAL . 11.2 mt -72.39 -17.07 61.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.907 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -72.22 -32.69 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 63.420000000000002 110.902 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -55.04 -48.0 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.340000000000003 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.2 mt -53.47 -43.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.310000000000002 111.12 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -38.33 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 65.430000000000007 110.888 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -14.01 60.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 110.895 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG22 ' HE ' ' A' ' 69' ' ' ARG . 26.0 mm -99.6 -14.56 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.127 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.87 -25.07 19.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.049999999999997 110.923 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -70.76 99.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 71.510000000000005 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 7.77 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.843 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.46 -12.74 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.85 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 59.85 16.16 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.209999999999994 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -28.45 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.879 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.6 -19.03 5.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 62.130000000000003 112.529 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.23 171.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -115.43 77.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 111.161 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.94 168.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 110.847 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.55 -28.95 70.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.329999999999998 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.41 -22.52 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.420000000000002 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.6 -29.84 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.886 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.19 -28.99 67.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 53.409999999999997 110.946 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -60.26 -25.84 65.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.519999999999996 110.897 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD1' HG12 ' A' ' 76' ' ' VAL . 90.7 m-85 -95.66 48.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.25 110.921 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -83.18 -24.35 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 74.430000000000007 110.913 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.2 mt -88.29 -3.5 58.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 53.439999999999998 110.928 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.67 0.38 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 65.310000000000002 110.933 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HE ' HG22 ' A' ' 49' ' ' ILE . 5.3 mmm180 -101.03 -30.86 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.040000000000006 110.862 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.425 ' C ' HD11 ' A' ' 15' ' ' LEU . 74.7 m-85 -99.23 -25.8 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.299999999999997 110.894 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.57 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -107.31 -34.76 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.540000000000006 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t 62.32 60.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.873 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.84 -16.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 42.420000000000002 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -176.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 51.530000000000001 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -83.85 -179.17 7.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.409999999999997 110.85 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.4 m -96.26 -167.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.420000000000002 111.156 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 82' ' ' THR . 60.0 mt -104.46 157.3 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.87 HG23 ' H ' ' A' ' 80' ' ' SER . 13.1 t -104.88 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.510000000000005 111.179 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -13.19 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 61.409999999999997 111.124 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.87 ' H ' HG23 ' A' ' 78' ' ' THR . 41.5 t -101.49 -2.4 30.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 70.019999999999996 110.856 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.9 mt-10 -113.58 -63.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.340000000000003 110.857 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.68 -48.22 63.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.239999999999995 111.106 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -56.79 -45.92 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 74.010000000000005 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 26' ' ' PRO . 36.7 m -60.21 -56.09 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.229999999999997 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.42 -48.63 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.859 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.542 ' HA ' HD11 ' A' ' 97' ' ' ILE . 2.2 tp -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 62.340000000000003 110.941 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.61 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 41.310000000000002 111.098 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB3' ' HE1' ' A' ' 105' ' ' MET . . . -111.97 -15.93 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 61.350000000000001 111.138 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -119.09 -55.55 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.510000000000005 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 8.4 t70 -59.96 -70.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.450000000000003 110.855 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 55.89 13.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.420000000000002 110.835 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 5.7 m-20 -104.67 -18.91 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 61.350000000000001 110.921 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.97 24.2 55.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 74.430000000000007 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.39 -15.69 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 71.019999999999996 110.904 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.14 -5.25 55.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 63.240000000000002 112.483 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -117.17 133.68 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 75.109999999999999 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.664 HD12 ' HB3' ' A' ' 89' ' ' ALA . 21.2 mm -87.29 144.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.5 111.095 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -117.7 156.85 15.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 74.150000000000006 112.464 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.36 -7.59 32.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 43.5 111.085 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 -0.77 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.240000000000002 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -125.43 -3.51 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.310000000000002 110.915 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.44 -57.84 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.519999999999996 110.861 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' NE2' ' HB2' ' A' ' 40' ' ' SER . 1.9 pt20 -51.84 -36.52 48.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 63.409999999999997 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -56.09 -28.13 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 70.150000000000006 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 88' ' ' ALA . 1.5 ppp? -86.52 -17.92 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.109999999999999 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.778 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -80.79 -78.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 32.509999999999998 111.117 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -62.17 -35.52 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 61.020000000000003 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.823 -179.751 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.874 0.369 . . . . 73.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.656 HD23 ' N ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -132.0 -46.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 64.349999999999994 110.936 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.31 27.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.340000000000003 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.36 -11.84 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.848 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.472 HD13 HD12 ' A' ' 2' ' ' LEU . 5.2 mp -128.06 -61.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 60.43 111.168 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.712 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.9 mt -97.33 155.77 16.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.919 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.44 159.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 33.509999999999998 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -49.56 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 71.450000000000003 112.356 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -57.2 -31.55 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 110.831 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -73.12 -35.2 66.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 63.439999999999998 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.48 -51.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 111.089 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.76 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 64.310000000000002 111.12 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.66 -26.02 45.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 62.299999999999997 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -86.71 -44.49 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 52.439999999999998 111.087 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 71' ' ' GLU . 15.5 mt -59.28 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 55.43 110.926 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -71.51 -31.72 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.010000000000005 110.827 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.14 -44.16 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.329999999999998 110.937 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 m -137.25 42.69 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.119999999999997 110.922 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.52 -35.9 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.030000000000001 110.906 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 145.53 17.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.693 . . . . 64.420000000000002 111.152 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.88 68.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.274 . . . . 62.329999999999998 112.345 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.6 t0 61.66 17.24 8.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 55.5 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -126.83 1.5 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.17 165.93 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.519999999999996 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.39 147.73 7.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.66 0.743 . . . . 45.299999999999997 110.845 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.542 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.73 -32.84 17.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 51.509999999999998 112.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 24.62 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 62.240000000000002 110.937 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -135.16 18.59 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 63.340000000000003 110.895 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.79 -3.25 11.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.019999999999996 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -98.86 -12.29 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.099999999999994 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.85 -28.8 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.540000000000006 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.9 mp -99.42 -30.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.111 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.712 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.5 t -89.09 -68.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.519999999999996 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.582 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.65 39.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 72.430000000000007 112.46 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HD11 ' A' ' 6' ' ' LEU . 42.7 mtp -72.8 -52.53 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 60.310000000000002 110.886 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' HG12 ' A' ' 106' ' ' VAL . 17.2 p -54.03 -33.76 58.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 74.319999999999993 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.04 -16.87 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 65.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -86.97 -164.53 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 63.539999999999999 110.873 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -121.25 159.48 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 51.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.05 -28.87 41.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 51.130000000000003 110.811 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.2 m -77.32 -28.61 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 61.350000000000001 110.844 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -85.56 -34.51 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.230000000000004 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.37 -40.89 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.120000000000005 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -19.57 40.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 75.239999999999995 110.897 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.66 -45.72 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 51.329999999999998 110.925 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -49.78 -34.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 73.140000000000001 111.108 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -40.49 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -14.41 51.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.340000000000003 110.895 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 49' ' ' ILE . 34.7 mm -99.28 -11.05 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.010000000000005 111.108 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -96.66 -26.93 15.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 70.129999999999995 110.894 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.47 119.57 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 18.49 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.140000000000001 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.53 6.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.913 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 47.95 23.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.120000000000005 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.2 p -71.12 -14.67 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 61.229999999999997 110.87 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.38 -10.36 56.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 54.32 112.447 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -142.67 167.66 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.010000000000005 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 mt -118.05 102.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 74.430000000000007 111.129 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.57 164.44 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.510000000000005 110.922 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.34 -30.16 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.74 -23.31 64.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.539999999999999 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -112.94 -17.86 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.65 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.07 -31.22 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 110.916 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.8 ptpt -63.28 -27.11 69.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 110.906 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CE1' HG12 ' A' ' 76' ' ' VAL . 14.2 m-85 -92.93 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.109999999999999 110.93 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . 34.2 t80 -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 75.219999999999999 110.904 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 77' ' ' LEU . 1.4 mt -84.51 -8.31 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.230000000000004 110.915 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.2 -1.05 54.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -104.22 -29.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.519999999999996 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CB ' HD11 ' A' ' 15' ' ' LEU . 16.0 m-85 -100.04 -15.0 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 tp10 -123.18 -34.92 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 73.430000000000007 110.881 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m 61.47 69.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 145.17 -12.91 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 43.439999999999998 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.79 -177.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 71.430000000000007 111.083 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.73 -178.46 6.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.019999999999996 110.866 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.0 m -98.34 -169.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 67' ' ' LEU . 35.7 mt -104.58 133.65 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.420000000000002 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -77.18 -178.12 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 44.439999999999998 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.71 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.409999999999997 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 11.0 t -102.78 -9.1 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.319999999999993 110.827 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.651 ' HG3' HG22 ' A' ' 78' ' ' THR . 42.2 mt-10 -99.43 -61.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.530000000000001 110.922 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.76 -49.35 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.219999999999999 111.157 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -51.49 -45.96 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.907 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.7 m -55.69 -54.11 48.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.134 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.04 -50.68 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 16.5 tp -63.8 -35.78 81.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 75.230000000000004 110.928 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.9 4.65 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.120000000000005 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.19 -15.7 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 73.200000000000003 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.75 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.98 -55.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.219999999999999 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.48 -70.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.239999999999995 110.912 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 56.68 15.24 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.219999999999999 110.85 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.4 -10.57 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.530000000000001 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.1 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 60.039999999999999 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.05 -39.22 23.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 70.239999999999995 110.871 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.82 14.89 60.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 24.43 112.445 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 120.24 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 70.219999999999999 110.844 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.572 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.5 mm -70.75 149.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 55.350000000000001 111.12 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.85 -157.22 8.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 73.329999999999998 112.504 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.52 5.24 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 72.030000000000001 111.091 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.77 -8.62 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 55.409999999999997 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.0 1.81 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.430000000000007 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -87.71 -68.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.400000000000006 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -50.94 -37.12 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 110.904 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.14 -31.61 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 61.439999999999998 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -82.19 -15.62 52.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 54.310000000000002 110.902 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 43' ' ' LEU . 15.5 t -83.27 -78.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 111.141 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.11 -35.11 76.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.340000000000003 110.855 -179.776 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.43 ' H1 ' ' HA ' ' A' ' 70' ' ' PHE . 26.3 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 74.450000000000003 110.824 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.725 ' H ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -54.12 -45.22 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 64.120000000000005 110.9 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 57.05 18.35 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 62.229999999999997 111.117 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.49 -10.46 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.120000000000005 110.846 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.7 -38.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 64.200000000000003 111.147 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.669 HD13 ' OG ' ' A' ' 33' ' ' SER . 6.7 mt -136.55 158.35 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.140000000000001 110.933 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.482 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.21 159.24 80.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 62.009999999999998 110.895 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -30.5 22.09 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 62.420000000000002 112.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -70.35 -47.18 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.299999999999997 110.877 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.14 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 61.140000000000001 110.858 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 7' ' ' SER . 18.7 mt -80.41 -51.99 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.019999999999996 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.62 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.439999999999998 111.066 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.17 59.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 64.219999999999999 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -84.91 -45.8 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 62.409999999999997 111.084 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 ' C ' ' A' ' 70' ' ' PHE . 14.0 mt -56.82 -49.69 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.409999999999997 110.883 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -31.85 67.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.230000000000004 110.842 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.28 -40.89 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.519999999999996 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.59 43.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 62.439999999999998 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.35 -35.15 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.329999999999998 110.907 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.86 152.69 5.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 53.340000000000003 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.84 49.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 73.310000000000002 112.351 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.4 t0 52.06 28.47 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.019999999999996 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -115.74 1.15 13.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.88 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -124.64 -177.12 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.55 161.21 32.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.698 0.761 . . . . 61.149999999999999 110.82 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.736 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.88 -21.76 32.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 72.439999999999998 112.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 33.22 5.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.299999999999997 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.48 17.54 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.219999999999999 110.886 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.13 -9.37 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 110.909 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.85 -16.84 29.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 62.219999999999999 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.33 -38.16 27.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 72.319999999999993 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.03 -30.87 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 60.439999999999998 111.121 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.669 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.9 t -90.94 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 63.200000000000003 110.903 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.18 41.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 71.129999999999995 112.485 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.58 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.9 mtp -73.51 -50.54 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 61.329999999999998 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -33.67 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.53 -19.37 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -85.46 -160.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.439999999999998 110.891 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -120.32 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.099999999999994 110.877 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -6.0 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.86 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -99.93 -15.12 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 61.520000000000003 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -97.57 -36.2 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.932 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.889 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.76 -21.55 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -70.35 -26.1 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 110.898 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.510000000000005 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 50' ' ' LEU . 2.7 mp -54.61 -39.32 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.010000000000005 111.117 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -38.43 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -14.08 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.83 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.714 HG13 HD12 ' A' ' 2' ' ' LEU . 23.7 mm -98.97 -14.51 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.098 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.16 -25.58 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 51.439999999999998 110.963 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -67.36 93.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 63.530000000000001 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.87 6.25 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 63.229999999999997 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.11 -13.53 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.510000000000005 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.0 16.29 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 51.229999999999997 110.897 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -37.89 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.420000000000002 110.881 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.21 -12.43 3.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 72.310000000000002 112.454 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.27 168.72 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 75.129999999999995 110.878 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 50' ' ' LEU . 32.5 mt -115.76 77.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 54.310000000000002 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 175.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -65.09 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.219999999999999 110.859 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.01 -21.34 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 61.299999999999997 110.818 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.6 -29.32 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.668 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 52.109999999999999 110.902 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.9 ptpt -48.71 -28.98 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 65.349999999999994 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.415 ' CD1' HG12 ' A' ' 76' ' ' VAL . 54.9 m-85 -93.4 44.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 74.540000000000006 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 67' ' ' LEU . 35.6 t80 -79.34 -30.92 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 63.200000000000003 110.864 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 67' ' ' LEU . 4.3 mt -82.83 -4.07 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.299999999999997 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 2.03 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.049999999999997 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.45 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -103.5 -31.14 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 51.119999999999997 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' C ' HD11 ' A' ' 15' ' ' LEU . 32.7 m-85 -97.28 -22.52 16.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.17 -34.91 5.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 65.329999999999998 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 64.38 60.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 32.229999999999997 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.72 -15.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 53.32 112.477 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.88 -178.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.120000000000005 111.076 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -77.71 -179.0 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.409999999999997 110.912 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.7 m -100.48 -166.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 60.409999999999997 111.169 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.553 ' HB2' HG23 ' A' ' 82' ' ' THR . 44.2 mt -104.11 137.19 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 64.430000000000007 110.896 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 10.6 t -76.4 -178.7 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 63.299999999999997 111.153 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.36 -9.15 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.145 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 13.6 t -105.31 -8.53 18.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 63.409999999999997 110.814 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 78' ' ' THR . 72.9 mm-40 -99.14 -60.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 73.519999999999996 110.854 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.41 -49.02 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.409999999999997 111.128 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 74.409999999999997 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.736 HG22 ' HG3' ' A' ' 26' ' ' PRO . 30.6 m -57.02 -56.9 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 55.240000000000002 111.129 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -51.03 -45.83 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 75.400000000000006 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 97' ' ' ILE . 5.9 tp -66.78 -36.2 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.939 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.29 3.3 15.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 51.310000000000002 111.097 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.59 -15.71 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 111.146 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.88 -54.93 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.409999999999997 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 29.8 t70 -58.65 -71.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.349999999999994 110.897 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 59.76 9.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 110.845 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.5 m-20 -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.519999999999996 110.896 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.8 15.65 74.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 51.420000000000002 112.49 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -83.58 -33.04 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 73.420000000000002 110.853 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 96.87 -8.66 65.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.515 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 132.63 55.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 62.310000000000002 110.856 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 22.4 mm -79.42 143.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.430000000000007 111.138 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.51 157.37 15.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 61.109999999999999 112.516 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.13 -4.53 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 42.439999999999998 111.12 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -101.84 -20.29 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.530000000000001 110.926 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -113.78 -3.94 13.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.310000000000002 110.894 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.455 ' HD1' HG21 ' A' ' 97' ' ' ILE . 79.1 t80 -72.35 -68.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.310000000000002 110.906 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -34.58 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.310000000000002 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.97 -28.57 57.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.040000000000006 110.908 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.7 ppp? -83.94 -18.02 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 74.129999999999995 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.889 HG11 HD22 ' A' ' 43' ' ' LEU . 16.6 t -79.71 -77.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.439999999999998 111.143 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -63.84 -35.15 79.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.209999999999994 110.88 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 54.409999999999997 110.887 -179.838 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 65.329999999999998 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.652 HD12 HG13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 70.519999999999996 110.956 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.36 22.41 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 74.140000000000001 111.125 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.25 -4.41 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 63.130000000000003 110.83 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.5 -39.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 65.25 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.661 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.9 mt -130.8 158.53 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 73.120000000000005 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.26 160.44 77.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 73.120000000000005 110.853 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.723 2.282 . . . . 55.409999999999997 112.335 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 p -53.15 -46.53 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 74.230000000000004 110.839 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.81 -34.81 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.922 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.53 -51.02 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 111.149 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -24.54 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.109999999999999 111.098 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.52 -22.61 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.209999999999994 111.101 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.697 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -92.88 -45.39 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 71.109999999999999 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD11 ' C ' ' A' ' 70' ' ' PHE . 36.0 mt -54.83 -50.85 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -71.4 -31.87 67.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.530000000000001 110.846 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.62 -39.91 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 72.329999999999998 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 m -139.71 45.46 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.200000000000003 110.848 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.48 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.239999999999995 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.58 147.03 8.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 53.409999999999997 111.058 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 141.21 44.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 72.400000000000006 112.372 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 60.45 18.45 8.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 64.299999999999997 110.853 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.15 18.11 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.209999999999994 110.868 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.89 162.91 27.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 71.030000000000001 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.05 160.7 61.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 70.109999999999999 110.85 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.74 -15.15 37.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 71.450000000000003 112.372 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 12.55 24.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 65.439999999999998 110.875 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -105.88 15.79 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 63.210000000000001 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.37 -3.3 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.329999999999998 110.871 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -102.93 -11.08 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 63.43 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.61 -30.07 15.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 71.209999999999994 110.908 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.697 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -98.47 -26.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.409999999999997 111.123 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.661 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.6 t -96.22 -69.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.420000000000002 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.04 30.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 41.340000000000003 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.521 ' O ' HD21 ' A' ' 43' ' ' LEU . 60.4 mtp -60.41 -53.53 56.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 73.109999999999999 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.632 ' HA ' HG12 ' A' ' 106' ' ' VAL . 6.6 m -53.98 -33.56 57.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 70.430000000000007 110.875 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -63.99 -15.94 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 74.150000000000006 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -85.84 -161.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 110.837 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.28 -30.03 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.530000000000001 110.857 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -74.51 -36.98 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.010000000000005 110.876 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -75.62 -31.1 59.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 61.329999999999998 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.754 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.7 mt -76.89 -14.66 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 62.039999999999999 110.919 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -69.88 -42.45 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 63.119999999999997 110.85 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -49.85 -47.12 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 63.240000000000002 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.8 mt -51.03 -45.85 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 64.019999999999996 111.117 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -36.85 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.409999999999997 110.904 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.129999999999995 110.868 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.652 HG13 HD12 ' A' ' 2' ' ' LEU . 21.9 mm -99.45 -12.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 64.25 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.13 -24.86 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.120000000000005 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.64 94.92 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 72.540000000000006 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 7.21 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 60.310000000000002 110.876 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -122.86 -13.78 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.420000000000002 110.86 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 60.97 15.6 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.919 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -37.08 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 61.409999999999997 110.845 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.52 -14.31 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 24.449999999999999 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -132.86 170.8 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 110.904 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.5 83.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 71.150000000000006 111.106 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 158.31 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.519999999999996 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 86' ' ' LEU . 21.3 mt-10 -53.59 -26.54 22.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 70.129999999999995 110.869 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.85 -25.95 67.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 61.310000000000002 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -109.31 -27.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.129999999999995 110.928 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.48 -27.96 66.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 64.409999999999997 110.966 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -63.06 -13.05 31.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 61.539999999999999 110.89 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.23 40.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 64.129999999999995 110.912 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -81.47 -19.98 41.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.200000000000003 110.842 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 77' ' ' LEU . 5.1 mt -93.25 -5.55 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.140000000000001 110.928 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 3.18 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.895 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -102.52 -35.56 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.430000000000007 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 15' ' ' LEU . 50.4 m-85 -95.75 -25.44 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.519999999999996 110.908 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.5 tt0 -107.96 -35.99 6.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 74.400000000000006 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t 61.03 63.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.01 -15.69 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 41.409999999999997 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 179.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 74.239999999999995 111.084 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -79.52 179.43 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.510000000000005 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.91 150.85 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 71.129999999999995 111.173 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 67' ' ' LEU . 45.0 mt -56.33 132.3 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.030000000000001 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.85 -178.23 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 71.209999999999994 111.14 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.84 -10.52 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.150000000000006 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -106.57 -10.22 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.040000000000006 110.804 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HG2' HG22 ' A' ' 78' ' ' THR . 28.9 mm-40 -94.76 -61.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 63.439999999999998 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.4 -47.89 62.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 64.540000000000006 111.126 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -49.34 -45.93 46.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.030000000000001 110.957 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -61.72 -60.78 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.030000000000001 111.121 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -50.99 -37.88 47.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 54.420000000000002 110.889 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HA2' ' A' ' 95' ' ' GLY . 60.8 tp -73.95 -35.58 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.239999999999995 110.897 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.72 21.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.109999999999999 111.071 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.94 -16.31 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 51.130000000000003 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.66 -55.54 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.019999999999996 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 28.3 t70 -58.98 -73.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 63.530000000000001 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 59.58 10.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.129999999999995 110.875 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.484 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.1 m-20 -106.11 -15.29 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.530000000000001 110.834 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.432 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.73 43.14 29.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 63.399999999999999 112.48 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -114.7 -31.73 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 73.299999999999997 110.85 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 97.17 -8.57 64.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 42.25 112.506 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.31 134.68 55.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 75.010000000000005 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 89' ' ' ALA . 32.5 mm -86.91 143.38 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.239999999999995 111.156 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.91 174.33 15.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.240000000000002 112.521 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.4 2.75 30.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 70.239999999999995 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -112.0 -10.5 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 72.540000000000006 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 97' ' ' ILE . 3.8 pt-20 -123.58 4.41 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.89 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -86.97 -67.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.430000000000007 110.869 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -36.24 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.878 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -32.58 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.89 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.8 ppp? -79.5 -16.62 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 72.140000000000001 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.754 HG11 ' CD2' ' A' ' 43' ' ' LEU . 17.8 t -81.99 -78.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.240000000000002 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -35.68 81.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.897 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.682 ' C ' HD13 ' A' ' 2' ' ' LEU . 2.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 74.540000000000006 110.844 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -109.57 -57.39 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 73.349999999999994 110.912 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.01 23.12 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.128 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -122.42 -6.69 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 73.349999999999994 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.94 -42.93 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.200000000000003 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.605 HD21 ' C ' ' A' ' 34' ' ' GLY . 19.8 mt -126.44 157.85 37.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.963 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.56 161.4 74.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 60.130000000000003 110.846 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.28 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 64.209999999999994 112.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -53.15 -46.38 68.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 53.299999999999997 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -58.02 -35.31 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 75.019999999999996 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -77.16 -51.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.450000000000003 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.0 70.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.010000000000005 111.094 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.96 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.540000000000006 111.077 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -83.31 -44.57 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 55.43 111.115 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' C ' ' A' ' 70' ' ' PHE . 17.3 mt -56.44 -46.69 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.030000000000001 110.905 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.76 -31.74 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -52.32 -39.57 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.5 m -138.69 39.43 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.049999999999997 110.897 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.81 -37.36 59.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.329999999999998 110.916 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -53.73 155.32 5.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.702 . . . . 63.140000000000001 111.087 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.69 150.46 68.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 62.310000000000002 112.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.94 33.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 65.510000000000005 110.868 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 p -112.13 -13.82 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 63.409999999999997 110.826 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 27.9 p90 -114.47 -174.98 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 72.329999999999998 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.84 161.72 28.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 75.319999999999993 110.898 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.532 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.83 -15.27 36.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 63.340000000000003 112.32 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.14 24.0 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.875 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -132.16 9.72 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.439999999999998 110.912 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 -32.08 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.886 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -69.25 -11.27 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.010000000000005 110.905 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -81.48 -40.31 23.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.519999999999996 110.897 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.38 -30.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.209999999999994 111.116 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.507 ' HB2' HD13 ' A' ' 6' ' ' LEU . 80.5 p -85.44 -70.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.869 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.605 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.56 39.22 0.51 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 63.32 112.509 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.532 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.3 mtp -74.96 -49.22 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 54.450000000000003 110.863 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG12 ' A' ' 106' ' ' VAL . 56.9 p -53.32 -32.87 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.030000000000001 110.857 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.66 -15.78 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 61.5 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.63 164.2 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 73.439999999999998 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -73.9 -177.8 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 52.549999999999997 110.847 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.17 1.04 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 64.519999999999996 110.818 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 m -107.0 -30.95 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 64.439999999999998 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -73.31 -25.15 60.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.439999999999998 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.818 HD22 HG11 ' A' ' 106' ' ' VAL . 5.0 mt -80.64 -19.35 45.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.239999999999995 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -71.64 -32.38 67.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.349999999999994 110.858 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.08 -48.5 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 64.140000000000001 110.852 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -68.19 -36.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 71.510000000000005 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.67 -39.76 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.903 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.33 52.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.310000000000002 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.597 HG22 HH21 ' A' ' 69' ' ' ARG . 40.0 mm -96.28 -13.69 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 111.141 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 -25.02 22.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.901 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -64.29 94.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 7.85 26.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.866 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.49 -12.24 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 51.009999999999998 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 59.21 16.64 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -34.87 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 51.130000000000003 110.86 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.19 -15.1 4.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 50.140000000000001 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -132.11 171.1 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 110.874 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 33.1 mt -115.87 79.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 70.109999999999999 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -54.13 170.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.430000000000007 110.878 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.9 -30.99 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.209999999999994 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -23.62 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 64.439999999999998 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.24 -27.71 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 73.010000000000005 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.15 -30.7 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 110.916 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.92 -30.93 70.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 64.310000000000002 110.865 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.8 16.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 64.25 110.906 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.46 -30.81 61.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 74.430000000000007 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 77' ' ' LEU . 2.2 mt -82.95 -9.64 59.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 44.030000000000001 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.13 8.59 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.597 HH21 HG22 ' A' ' 49' ' ' ILE . 5.9 mmm180 -106.14 -31.1 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.530000000000001 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.5 m-85 -96.16 -27.85 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.877 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.2 tp10 -109.87 -32.99 6.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 73.140000000000001 110.884 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 64.15 59.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.129999999999995 110.858 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.32 -18.57 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 54.219999999999999 112.513 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.11 -179.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 71.129999999999995 111.119 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -78.27 175.99 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.400000000000006 110.889 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 2.0 m -99.1 152.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.209999999999994 111.1 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 67' ' ' LEU . 81.4 mt -55.63 138.88 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.109999999999999 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.8 t -77.16 -177.12 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.63 -7.97 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 52.43 111.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 46.9 t -111.75 -6.02 14.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.120000000000005 110.832 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.538 ' CG ' HG22 ' A' ' 78' ' ' THR . 10.5 mm-40 -95.75 -61.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.109999999999999 110.87 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.47 -47.73 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 53.039999999999999 111.114 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -49.95 -54.57 18.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 61.100000000000001 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.532 HG22 ' HG3' ' A' ' 26' ' ' PRO . 24.6 m -51.55 -55.67 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 63.43 111.184 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CD1' HD11 ' A' ' 63' ' ' LEU . 8.1 t80 -51.71 -44.22 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 110.883 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.7 tp -68.04 -25.01 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.109999999999999 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.91 0.08 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.299999999999997 111.132 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 -18.12 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 111.089 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.71 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -128.85 -12.22 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 62.210000000000001 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.594 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.9 t70 -133.18 24.37 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 34.25 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.95 -14.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.319999999999993 110.84 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 10.1 p30 -61.69 -27.67 68.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 63.409999999999997 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.41 43.32 4.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 73.519999999999996 112.48 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -104.32 -30.54 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 75.319999999999993 110.858 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.22 15.83 58.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 71.310000000000002 112.479 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -157.46 135.11 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 62.310000000000002 110.935 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.71 HD12 ' HB3' ' A' ' 89' ' ' ALA . 43.9 mm -80.48 147.46 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 64.129999999999995 111.133 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.31 175.47 17.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 43.130000000000003 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.34 7.01 17.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 75.129999999999995 111.126 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -117.59 -12.69 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.43 -2.57 9.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 70.200000000000003 110.896 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -77.02 -65.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 61.530000000000001 110.83 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -36.13 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 64.409999999999997 110.923 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.11 -27.45 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 65.129999999999995 110.909 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -87.5 -16.76 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 63.130000000000003 110.857 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.818 HG11 HD22 ' A' ' 43' ' ' LEU . 16.7 t -81.76 -77.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.5 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -35.48 80.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.400000000000006 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 44.509999999999998 110.857 -179.812 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.684 ' C ' HD13 ' A' ' 2' ' ' LEU . 7.2 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.868 0.366 . . . . 74.209999999999994 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.717 HD12 HG13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -109.02 -57.65 2.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 71.439999999999998 110.906 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.41 23.61 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.140000000000001 111.112 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.25 -5.6 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.439999999999998 110.855 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.09 -63.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 111.154 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.76 HD13 ' OG ' ' A' ' 33' ' ' SER . 38.4 mt -97.95 156.78 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 110.921 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.69 159.94 73.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.708 0.766 . . . . 74.019999999999996 110.807 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 32.409999999999997 112.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -53.91 -48.5 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.140000000000001 110.889 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.47 -34.84 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 63.340000000000003 110.863 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 25.4 mt -74.65 -52.82 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.099999999999994 111.12 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.03 -23.2 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 60.439999999999998 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.96 -24.64 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 111.079 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.73 -24.14 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.219999999999999 111.106 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 70' ' ' PHE . 25.8 mt -69.73 -56.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 110.873 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -23.57 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.420000000000002 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.38 -51.68 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 63.509999999999998 110.907 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 m -133.24 43.01 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.911 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.07 -37.9 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.946 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.27 150.44 8.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 64.420000000000002 111.056 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.57 60.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 72.140000000000001 112.331 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 61.4 17.38 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 72.439999999999998 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 -15.41 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 73.430000000000007 110.864 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -92.69 166.72 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 65.230000000000004 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.41 156.65 31.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 70.120000000000005 110.854 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.1 Cg_endo -69.82 -16.25 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.22 . . . . 73.420000000000002 112.35 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 30.85 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 55.329999999999998 110.935 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -135.33 17.63 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -117.15 -22.6 8.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -78.18 -14.97 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.891 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -85.06 -34.65 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 61.409999999999997 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 2.9 mp -92.83 -29.57 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 71.340000000000003 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -94.28 -67.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.87 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.87 45.79 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 63.32 112.491 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.735 ' HG2' HD11 ' A' ' 6' ' ' LEU . 32.9 mtp -73.64 -49.84 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 51.530000000000001 110.893 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.483 ' HA ' HG12 ' A' ' 106' ' ' VAL . 86.7 p -53.25 -35.24 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 61.399999999999999 110.852 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -62.36 -19.23 63.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.400000000000006 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -90.98 150.4 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.120000000000005 110.887 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -73.91 160.83 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.310000000000002 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.657 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.03 -25.77 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 75.230000000000004 110.873 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -74.79 -36.81 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 52.520000000000003 110.873 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -74.19 -33.35 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.129999999999995 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.717 ' CD2' HG11 ' A' ' 106' ' ' VAL . 2.8 mt -76.24 -14.08 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 64.299999999999997 110.957 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -70.53 -42.53 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.865 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -48.42 -45.63 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 64.230000000000004 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.1 mt -48.95 -45.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 111.087 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 2.0 t80 -55.29 -39.15 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 71.439999999999998 110.866 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -9.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.877 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.717 HG13 HD12 ' A' ' 2' ' ' LEU . 27.0 mm -101.79 -19.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 111.145 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -89.41 -26.28 21.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 62.420000000000002 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.19 121.6 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -130.0 3.15 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.875 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 51.36 22.2 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.349999999999994 110.933 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -60.74 -18.16 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.149999999999999 110.838 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.29 -16.27 12.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 54.43 112.519 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -144.23 144.88 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.352 . . . . 74.209999999999994 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mt -91.76 103.67 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 111.128 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.44 164.23 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.430000000000007 110.826 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -53.53 -29.68 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.140000000000001 110.851 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.31 -23.74 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 52.409999999999997 110.836 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.72 -14.89 13.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -76.61 -29.09 56.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 72.030000000000001 110.929 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.05 -12.69 41.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.888 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -102.97 47.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 62.43 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 64.5 t80 -87.72 -21.17 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.549999999999997 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 77' ' ' LEU . 3.1 mt -97.46 -2.22 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 72.420000000000002 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.69 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.941 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -110.35 -42.44 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.409999999999997 110.87 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.588 ' O ' HD11 ' A' ' 15' ' ' LEU . 62.5 m-85 -85.3 -24.12 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -114.49 -25.13 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p 47.18 77.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.349999999999994 110.893 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.17 -10.19 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 74.299999999999997 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -175.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 63.520000000000003 111.136 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -84.94 175.55 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 73.329999999999998 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -98.63 150.84 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 61.049999999999997 111.078 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HB2' HG23 ' A' ' 82' ' ' THR . 38.2 mt -55.88 131.47 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 72.099999999999994 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.794 HG23 ' H ' ' A' ' 80' ' ' SER . 10.0 t -76.47 -179.06 4.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 111.149 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -12.18 50.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.130000000000003 111.113 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.794 ' H ' HG23 ' A' ' 78' ' ' THR . 8.7 t -103.78 -11.39 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 54.399999999999999 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.69 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.7 mm-40 -94.74 -61.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 51.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.74 -48.46 69.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 42.0 111.14 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -50.97 -46.28 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.519999999999996 110.856 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.53 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.0 m -59.27 -58.61 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 51.140000000000001 111.093 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -51.14 -49.21 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 90' ' ' ASP . 5.8 tp -63.82 -37.36 87.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.915 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.27 0.01 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.340000000000003 111.082 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.73 -16.03 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.120000000000005 111.107 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.68 -55.75 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 72.230000000000004 111.094 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 86' ' ' LEU . 30.4 t70 -60.09 -72.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.420000000000002 110.884 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.43 11.03 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 65.129999999999995 110.839 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.502 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.8 m-20 -105.04 -20.5 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 64.109999999999999 110.867 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.09 25.32 49.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 55.229999999999997 112.49 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.89 -21.46 15.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 75.219999999999999 110.855 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.15 24.27 69.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 72.129999999999995 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 125.94 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 74.409999999999997 110.918 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.3 mm -84.59 149.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.112 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.88 -178.34 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 72.25 112.478 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.18 7.24 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.115 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -117.92 -10.05 10.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.420000000000002 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.87 -6.8 9.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 75.299999999999997 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -74.43 -67.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.400000000000006 110.872 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -36.19 33.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 110.918 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.21 -29.07 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.109999999999999 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.448 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -85.19 -17.47 37.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 110.901 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -81.42 -78.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 111.143 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -64.17 -35.32 80.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.039999999999999 110.948 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 44.530000000000001 110.86 -179.829 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.876 0.369 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -50.11 -59.8 3.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.019999999999996 110.902 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p 49.48 24.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 74.209999999999994 111.152 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -130.52 0.55 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.549999999999997 110.835 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.25 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 60.329999999999998 111.122 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.0 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 70.329999999999998 110.938 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.06 161.08 76.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 54.450000000000003 110.858 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 71.420000000000002 112.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -46.42 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 54.43 110.876 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -58.6 -34.05 70.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.8 mt -78.0 -52.32 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 63.020000000000003 111.087 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.16 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 60.200000000000003 111.115 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -28.12 60.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.400000000000006 111.089 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.09 -26.56 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 111.111 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 70' ' ' PHE . 20.0 mt -71.04 -54.86 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.349999999999994 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -71.19 -11.11 60.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.209999999999994 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.97 -40.27 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 61.149999999999999 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.88 38.12 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 54.439999999999998 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.31 -35.15 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.230000000000004 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.06 150.1 11.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 62.350000000000001 111.128 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.98 67.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 42.210000000000001 112.333 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.72 34.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 61.25 110.887 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -123.98 8.28 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.399999999999999 110.842 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.66 178.99 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.010000000000005 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.38 158.24 58.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 72.319999999999993 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.674 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.74 -11.16 30.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 72.150000000000006 112.393 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 33.11 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.530000000000001 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -134.09 20.06 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.519999999999996 110.912 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -2.6 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.109999999999999 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -94.68 -15.2 24.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.030000000000001 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -84.7 -33.63 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.310000000000002 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.6 mp -92.5 -31.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 65.420000000000002 111.171 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 13.4 t -90.12 -70.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 75.329999999999998 110.86 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.653 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 126.5 31.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 54.43 112.486 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.0 mtp -64.89 -49.37 70.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 71.030000000000001 110.911 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 106' ' ' VAL . 60.2 p -53.04 -35.2 59.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 55.219999999999999 110.846 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -63.49 -19.74 65.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 71.209999999999994 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -89.65 152.72 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 51.530000000000001 110.882 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -74.4 163.29 27.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 71.319999999999993 110.865 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.97 -19.17 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 63.5 110.86 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.9 p -82.88 -22.13 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.420000000000002 110.883 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -92.03 -28.05 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 72.430000000000007 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.736 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -77.42 -20.58 54.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.93 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -74.11 -23.52 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.08 -46.63 89.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.52 -38.02 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 60.350000000000001 111.122 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -37.89 68.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.109999999999999 110.869 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -12.55 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.219999999999999 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.655 HG22 HH21 ' A' ' 69' ' ' ARG . 16.6 mm -98.69 -12.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.420000000000002 111.169 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -25.6 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.219999999999999 110.927 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -69.45 118.77 12.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 65.230000000000004 110.884 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.66 12.93 24.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.119999999999997 110.885 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.9 0.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.129999999999995 110.873 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 51.78 20.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.952 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.31 -24.67 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.329999999999998 110.864 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.21 -16.27 10.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.409999999999997 112.489 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.91 169.49 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 75.319999999999993 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.3 mt -117.04 84.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 70.010000000000005 111.141 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.85 173.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.400000000000006 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.03 -32.59 73.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.858 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -61.23 -19.62 61.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.44 -19.23 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.040000000000006 110.904 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.29 -32.13 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.229999999999997 110.965 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.58 -31.57 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 55.240000000000002 110.855 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.88 16.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 74.329999999999998 110.915 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.9 -31.96 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.209999999999994 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 77' ' ' LEU . 1.6 mt -82.4 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.430000000000007 110.953 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.48 7.09 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.409999999999997 110.905 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.655 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -104.54 -30.4 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.010000000000005 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' O ' HD11 ' A' ' 15' ' ' LEU . 30.8 m-85 -99.28 -22.55 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.329999999999998 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 15' ' ' LEU . 3.1 tm-20 -113.65 -33.57 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.409999999999997 110.834 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m 62.68 57.86 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.209999999999994 110.857 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 -21.22 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 50.130000000000003 112.455 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 75.219999999999999 111.108 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -79.04 179.75 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.72 150.12 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 72.340000000000003 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 67' ' ' LEU . 62.4 mt -56.23 137.01 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.917 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.865 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.63 -174.82 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.146 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.69 -5.21 36.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 60.539999999999999 111.042 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.865 ' H ' HG23 ' A' ' 78' ' ' THR . 32.7 t -114.43 -3.45 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 110.837 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.597 ' HG3' HG22 ' A' ' 78' ' ' THR . 39.8 mt-10 -98.38 -61.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.55 -48.85 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 74.519999999999996 111.104 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -50.38 -48.04 56.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 26' ' ' PRO . 15.8 m -54.89 -57.71 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 64.219999999999999 111.101 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -50.73 -47.65 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.120000000000005 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 8.9 tp -64.03 -36.33 83.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 71.349999999999994 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.48 3.36 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.329999999999998 111.116 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 -15.16 10.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.010000000000005 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -119.65 -57.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.219999999999999 111.138 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.793 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -62.44 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 110.858 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 68.13 7.41 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.540000000000006 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 -14.81 15.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 71.140000000000001 110.864 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.48 20.89 73.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 71.25 112.473 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.34 -37.7 51.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 71.150000000000006 110.849 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.46 21.52 44.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 63.340000000000003 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.59 116.95 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.299999999999997 110.926 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.793 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.1 mm -63.14 151.38 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.239999999999995 111.134 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.48 7.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 72.120000000000005 112.511 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.6 3.34 39.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 60.409999999999997 111.099 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -117.95 -5.29 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 64.239999999999995 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.576 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 7.2 pt-20 -126.9 2.23 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.019999999999996 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -91.14 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -37.71 47.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 52.310000000000002 110.93 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -56.09 -31.35 63.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.764 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -82.1 -16.61 49.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.450000000000003 110.888 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.736 HG11 HD22 ' A' ' 43' ' ' LEU . 15.4 t -82.23 -78.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.43 111.128 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.84 -35.38 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 43.340000000000003 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 73.209999999999994 110.847 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.899 0.381 . . . . 64.109999999999999 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -49.71 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 73.310000000000002 110.923 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.96 20.62 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 54.439999999999998 111.147 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.44 -0.09 4.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.140000000000001 110.875 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.456 HD13 ' CD ' ' A' ' 45' ' ' GLU . 5.3 mp -133.41 -38.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 71.209999999999994 111.137 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD21 ' C ' ' A' ' 34' ' ' GLY . 2.1 mt -131.82 158.1 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 62.240000000000002 110.926 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.87 158.98 79.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 75.239999999999995 110.902 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 72.310000000000002 112.316 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -53.43 -45.23 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.239999999999995 110.848 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.03 -44.53 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.230000000000004 110.834 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -68.54 -55.03 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 70.420000000000002 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.97 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.310000000000002 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.83 39.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.549999999999997 111.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.27 -36.73 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 61.399999999999999 111.1 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.668 HD13 ' CD ' ' A' ' 71' ' ' GLU . 16.9 mt -61.34 -50.69 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.120000000000005 110.915 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -69.86 -31.15 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.319999999999993 110.876 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.29 -40.6 62.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.329999999999998 110.857 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.0 m -139.42 43.39 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.209999999999994 110.91 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.7 -35.65 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.310000000000002 110.915 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 150.43 7.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 65.129999999999995 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.96 49.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.74 2.293 . . . . 74.519999999999996 112.337 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 51.46 29.12 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 70.450000000000003 110.859 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.03 -21.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 55.520000000000003 110.857 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.84 176.74 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 73.219999999999999 110.884 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.79 158.08 50.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 71.439999999999998 110.902 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.8 -12.1 32.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.63 2.22 . . . . 52.119999999999997 112.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 29.98 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.319999999999993 110.908 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -134.75 14.93 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.209999999999994 110.921 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.62 -9.32 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.923 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -94.69 -15.14 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 74.120000000000005 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.18 -31.96 30.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 61.219999999999999 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -90.58 -38.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.239999999999995 111.14 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -81.31 -74.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.846 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 132.4 35.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 74.219999999999999 112.49 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.567 ' O ' HD21 ' A' ' 43' ' ' LEU . 32.1 mtp -70.49 -52.04 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 74.230000000000004 110.854 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.35 -33.9 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 75.340000000000003 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.2 -22.2 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -86.16 -163.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.918 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -120.25 160.74 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.230000000000004 110.867 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.29 -47.14 55.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.400000000000006 110.88 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -60.62 -25.92 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.239999999999995 110.814 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -92.33 -15.31 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 106' ' ' VAL . 8.0 mt -96.08 -18.04 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 63.409999999999997 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -68.67 -25.12 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 54.119999999999997 110.915 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CD ' HD13 ' A' ' 5' ' ' ILE . 1.2 pp20? -55.65 -49.4 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.818 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.0 mp -47.57 -45.56 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 111.183 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -37.76 68.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 72.430000000000007 110.922 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.15 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.5 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 HG22 HH21 ' A' ' 69' ' ' ARG . 25.5 mm -105.61 -12.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 62.100000000000001 111.12 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -93.67 -25.69 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 110.874 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -68.89 118.17 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.140000000000001 110.927 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.83 7.13 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 65.329999999999998 110.853 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -1.51 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.409999999999997 110.88 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 52.6 20.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -24.74 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.874 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.14 -17.33 8.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 71.400000000000006 112.503 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -133.43 169.0 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 71.409999999999997 110.824 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.7 mt -117.3 82.85 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.450000000000003 111.168 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.44 172.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.400000000000006 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.65 -30.83 70.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 70.430000000000007 110.887 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.52 -18.59 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 64.209999999999994 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.38 -19.19 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 75.319999999999993 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.31 -29.66 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 54.039999999999999 110.915 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.7 ptpt -61.32 -27.88 68.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 110.887 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 76' ' ' VAL . 56.8 m-85 -92.07 23.38 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.230000000000004 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.97 -28.78 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 63.340000000000003 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.73 -12.08 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.239999999999995 110.927 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.86 7.77 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 64.329999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.492 HH21 HG22 ' A' ' 49' ' ' ILE . 5.2 mmm180 -106.2 -30.43 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.6 m-85 -99.6 -22.36 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 110.859 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.668 ' CD ' HD13 ' A' ' 15' ' ' LEU . 4.2 tp10 -115.28 -19.87 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.340000000000003 110.857 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p 46.98 61.52 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 64.25 110.892 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.28 -17.38 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 75.310000000000002 112.459 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.92 179.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 54.43 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -77.42 175.72 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 73.340000000000003 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -95.8 -168.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 54.520000000000003 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 67' ' ' LEU . 67.9 mt -104.37 137.37 42.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 71.340000000000003 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' H ' ' A' ' 80' ' ' SER . 9.9 t -76.74 -176.07 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 71.510000000000005 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.71 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 111.094 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.841 ' H ' HG23 ' A' ' 78' ' ' THR . 13.3 t -109.0 -6.41 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 52.32 110.89 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.611 ' OE2' HG22 ' A' ' 78' ' ' THR . 32.9 mt-10 -97.03 -60.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 71.310000000000002 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.34 -48.95 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.310000000000002 111.145 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -51.41 -46.5 62.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 44.509999999999998 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.9 m -56.63 -57.53 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.019999999999996 111.131 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.24 -50.07 51.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.109999999999999 110.842 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' OD2' ' A' ' 90' ' ' ASP . 3.7 tp -64.74 -32.61 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.219999999999999 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.16 -3.95 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.129999999999995 111.096 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.23 -13.38 10.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 61.219999999999999 111.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -118.21 -40.67 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 50.149999999999999 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 86' ' ' LEU . 3.3 m-20 -93.65 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 50.63 21.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.819 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -105.43 -16.3 14.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.219999999999999 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.65 6.4 73.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 62.43 112.495 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB3' ' HD3' ' A' ' 96' ' ' LYS . 2.3 m-20 -72.79 -42.69 63.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 74.340000000000003 110.871 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.28 57.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 72.219999999999999 112.498 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HB3' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -150.08 123.26 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 65.549999999999997 110.927 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.649 HD13 ' OD2' ' A' ' 90' ' ' ASP . 7.9 mm -67.57 147.24 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.409999999999997 111.127 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.06 -179.81 16.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.538 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.41 8.52 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 65.430000000000007 111.096 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -124.31 -4.27 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.18 9.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -96.11 -64.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.040000000000006 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -37.62 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.129999999999995 110.915 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.03 -33.39 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.540000000000006 110.927 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.82 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -78.07 -17.48 56.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.329999999999998 110.868 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 43' ' ' LEU . 18.7 t -80.15 -77.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 111.078 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.01 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.821 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.882 0.373 . . . . 72.409999999999997 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 5' ' ' ILE . 18.3 tp -117.96 -72.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 72.099999999999994 110.897 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.49 27.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 62.140000000000001 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.464 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -118.67 -4.81 10.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 64.530000000000001 110.852 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.999 HD13 HD21 ' A' ' 2' ' ' LEU . 5.0 mp -139.06 -47.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 65.340000000000003 111.144 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD21 ' C ' ' A' ' 34' ' ' GLY . 5.4 mt -125.84 158.89 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 71.209999999999994 110.891 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.75 160.81 78.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.678 0.751 . . . . 74.400000000000006 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 72.140000000000001 112.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -46.4 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 110.832 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -58.66 -35.2 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 55.020000000000003 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.78 -51.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.230000000000004 111.149 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.8 -22.35 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 51.219999999999999 111.079 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.63 -22.5 37.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 50.329999999999998 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -95.74 -29.37 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.5 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 71' ' ' GLU . 44.7 mt -69.42 -54.35 14.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.540000000000006 110.904 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -69.91 -26.48 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.319999999999993 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.43 -52.56 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -131.8 40.38 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 62.020000000000003 110.902 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -52.44 -36.54 54.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.439999999999998 110.919 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 72.409999999999997 111.056 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.89 68.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 71.230000000000004 112.344 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' HB3' HG21 ' A' ' 78' ' ' THR . 4.3 p-10 42.85 34.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.549999999999997 110.828 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.6 -12.28 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.847 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -125.08 140.05 53.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.299999999999997 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.33 160.39 29.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 63.509999999999998 110.86 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.629 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.75 -15.82 37.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 75.310000000000002 112.354 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.56 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 110.921 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -127.69 11.18 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.319999999999993 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -105.48 -19.18 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.329999999999998 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -81.6 -4.88 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -93.18 -36.87 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.530000000000001 110.914 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.626 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -88.12 -26.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.340000000000003 111.104 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.01 -69.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.510000000000005 110.878 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.57 40.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 53.340000000000003 112.484 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 39.7 mtp -70.93 -48.71 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 62.140000000000001 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 106' ' ' VAL . 75.7 p -53.8 -33.87 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.846 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -16.81 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -92.85 159.84 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.200000000000003 110.903 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 179.33 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 74.420000000000002 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -10.16 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 72.319999999999993 110.844 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -93.19 -32.1 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.450000000000003 110.887 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -72.32 -35.64 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.299999999999997 110.925 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.95 -17.49 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 63.219999999999999 110.959 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 3.8 mtmp? -70.42 -26.3 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.901 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.56 -46.79 88.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 43.340000000000003 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.8 mt -56.7 -37.36 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.117 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -38.63 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 62.25 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -12.49 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 110.906 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mm -97.12 -16.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 62.32 111.146 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.33 -24.98 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 71.439999999999998 110.907 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.51 117.14 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.865 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.9 0.58 35.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 52.049999999999997 110.906 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 0.77 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 73.030000000000001 110.852 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 51.75 21.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 65.340000000000003 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -69.32 -17.74 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 110.839 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.46 -16.32 21.9 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.809 -0.71 . . . . 61.530000000000001 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -132.93 166.53 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 72.5 110.865 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.16 105.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 72.109999999999999 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.79 168.41 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.219999999999999 110.905 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.72 -30.28 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 50.43 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.01 -22.65 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 63.509999999999998 110.862 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.12 -18.76 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.539999999999999 110.905 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.2 -29.67 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.319999999999993 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.2 ptpt -62.47 -26.82 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 54.439999999999998 110.88 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CD1' HG12 ' A' ' 76' ' ' VAL . 44.1 m-85 -93.03 23.49 4.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 70.140000000000001 110.93 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.4 t80 -55.98 -27.83 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.349999999999994 110.901 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -83.37 -17.66 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 71.530000000000001 110.931 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -83.03 3.7 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 62.340000000000003 110.929 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.02 -30.62 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.120000000000005 110.861 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' HD11 ' A' ' 15' ' ' LEU . 55.4 m-85 -105.48 -15.47 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 54.439999999999998 110.923 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -115.75 -35.12 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 65.150000000000006 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 59.46 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 31.329999999999998 110.849 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.25 -16.37 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 53.109999999999999 112.477 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.09 174.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 61.149999999999999 111.103 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HG3' HD12 ' A' ' 67' ' ' LEU . 1.6 ptp85 -70.46 -173.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.329999999999998 110.86 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -106.68 -167.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 67' ' ' LEU . 37.4 mt -103.94 134.56 47.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 72.510000000000005 110.922 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.804 HG23 ' H ' ' A' ' 80' ' ' SER . 10.1 t -77.04 -178.67 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.310000000000002 111.14 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.86 58.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 74.519999999999996 111.088 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.804 ' H ' HG23 ' A' ' 78' ' ' THR . 42.0 t -104.34 -9.49 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 73.319999999999993 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' CG ' HG22 ' A' ' 78' ' ' THR . 7.6 mm-40 -96.81 -59.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.905 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.87 -47.96 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 62.450000000000003 111.106 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -50.53 -51.81 44.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 26' ' ' PRO . 16.7 m -52.35 -57.02 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.540000000000006 111.138 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -51.04 -46.55 61.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 64.439999999999998 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 90' ' ' ASP . 10.9 tp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.150000000000006 110.892 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -2.13 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.230000000000004 111.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.87 -17.7 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 71.109999999999999 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -130.25 -9.71 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 65.25 111.104 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.422 ' OD2' HD13 ' A' ' 97' ' ' ILE . 1.3 m-20 -134.33 27.04 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.64 -17.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 60.299999999999997 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -60.39 -29.65 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.876 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.36 18.14 43.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 53.420000000000002 112.548 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.7 -33.59 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 74.230000000000004 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.41 12.09 70.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 63.409999999999997 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 120.29 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 72.420000000000002 110.877 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.0 mm -69.83 144.81 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.400000000000006 111.118 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.49 179.89 16.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 74.230000000000004 112.425 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.427 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -85.93 8.45 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 64.129999999999995 111.082 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -119.15 -12.11 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.902 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -124.63 9.7 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 71.540000000000006 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.411 ' HD2' HG21 ' A' ' 97' ' ' ILE . 40.6 t80 -94.59 -60.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -37.33 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.230000000000004 110.959 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.22 -31.61 63.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 73.510000000000005 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.419 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.1 ppp? -81.83 -15.05 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 60.229999999999997 110.904 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 43' ' ' LEU . 14.9 t -84.37 -78.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.210000000000001 111.12 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.39 -35.4 80.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.230000000000004 110.876 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 63.100000000000001 110.875 -179.804 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.944 0.402 . . . . 64.349999999999994 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.639 HD13 ' N ' ' A' ' 2' ' ' LEU . 0.2 OUTLIER -50.59 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 64.439999999999998 110.936 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.72 23.36 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 62.420000000000002 111.113 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.68 -3.43 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.299999999999997 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.67 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.409999999999997 111.15 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 19.6 mt -97.22 158.5 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.129999999999995 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 161.06 76.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.683 0.754 . . . . 65.25 110.806 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 42.119999999999997 112.367 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -54.81 -46.51 74.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.894 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.75 -34.98 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 72.329999999999998 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -75.49 -52.8 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 111.145 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.69 38.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 111.135 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.97 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.209999999999994 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -85.78 -45.55 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 55.310000000000002 111.087 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' C ' ' A' ' 70' ' ' PHE . 13.8 mt -52.88 -53.28 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 64.5 110.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -70.27 -31.57 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 54.420000000000002 110.873 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -39.8 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.340000000000003 110.908 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.71 46.18 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 64.140000000000001 110.848 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -69.08 -36.57 77.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.946 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 148.97 23.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 65.230000000000004 111.104 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.81 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.715 2.277 . . . . 70.129999999999995 112.326 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.32 29.21 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 71.310000000000002 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.79 14.66 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.854 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -131.35 164.63 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.109999999999999 110.897 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 160.72 58.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 73.239999999999995 110.869 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.0 Cg_endo -69.79 -20.83 34.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 62.520000000000003 112.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 29.81 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 74.129999999999995 110.886 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -134.99 17.65 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 72.239999999999995 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.16 -9.56 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -90.46 -15.14 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 73.329999999999998 110.853 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.56 -33.97 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.329999999999998 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -89.78 -31.19 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.510000000000005 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 2.4 t -91.8 -69.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 60.340000000000003 110.833 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.82 29.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 55.329999999999998 112.51 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.8 mtp -63.25 -49.02 75.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 62.229999999999997 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.672 ' HA ' HG12 ' A' ' 106' ' ' VAL . 8.0 m -54.01 -35.12 61.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 51.520000000000003 110.873 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -66.02 -14.01 60.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.019999999999996 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.84 156.3 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 73.25 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 m -74.1 164.03 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 75.519999999999996 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.36 -17.0 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 61.219999999999999 110.855 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -87.98 -32.58 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 51.350000000000001 110.907 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -73.72 -31.93 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 72.450000000000003 110.888 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.606 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.4 mt -75.07 -18.05 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -70.21 -27.31 64.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 110.919 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -62.26 -46.77 87.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.4 mt -58.47 -29.97 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 62.039999999999999 111.138 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -24.22 66.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.299999999999997 110.882 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -3.34 38.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 71.530000000000001 110.887 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.552 HG13 HD12 ' A' ' 2' ' ' LEU . 26.2 mm -109.36 -14.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.140000000000001 111.115 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.08 -25.67 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 110.947 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.7 117.96 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 2.06 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.210000000000001 110.895 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.95 1.27 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.129999999999995 110.852 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 51.46 21.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.120000000000005 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -71.03 -17.36 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.77 -15.06 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 64.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -130.59 162.5 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 71.310000000000002 110.907 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -117.59 102.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.319999999999993 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.17 164.9 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 71.400000000000006 110.901 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.37 -28.88 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 110.852 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -24.08 67.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 70.530000000000001 110.927 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -112.8 -14.27 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.219999999999999 110.859 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.6 OUTLIER -77.1 -27.17 54.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.340000000000003 110.941 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -64.19 -11.96 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 110.931 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 76' ' ' VAL . 13.5 m-85 -97.27 22.22 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.019999999999996 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -56.44 -26.21 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 75.519999999999996 110.897 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 77' ' ' LEU . 1.3 mt -86.75 -13.35 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 55.530000000000001 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 14.4 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.450000000000003 110.903 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.08 -34.77 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.873 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' C ' HD11 ' A' ' 15' ' ' LEU . 63.8 m-85 -95.22 -25.32 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.905 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -112.09 -32.99 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.899 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m 62.65 59.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 154.66 -19.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 22.239999999999998 112.479 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 179.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 65.420000000000002 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.52 179.72 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 73.450000000000003 110.908 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -99.82 -168.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.219999999999999 111.127 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 67' ' ' LEU . 27.2 mt -103.73 138.77 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.439999999999998 110.957 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 9.4 t -77.12 -176.72 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 70.340000000000003 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.39 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 63.210000000000001 111.079 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 2.7 t -106.67 -9.15 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 61.149999999999999 110.911 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HG3' HG22 ' A' ' 78' ' ' THR . 33.4 mt-10 -96.29 -62.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 70.140000000000001 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.67 -47.69 58.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 65.25 111.146 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -48.73 -46.48 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.329999999999998 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.6 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.0 m -59.75 -59.87 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.53 -48.04 63.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD21 ' HA2' ' A' ' 95' ' ' GLY . 18.1 tp -63.59 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 73.549999999999997 110.919 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.8 2.91 24.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 60.210000000000001 111.13 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.01 -16.55 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.128 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.43 -55.58 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.430000000000007 111.097 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.11 -71.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 54.439999999999998 110.876 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 58.34 11.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.420000000000002 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 2.1 m-20 -105.38 -19.61 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 110.843 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.02 26.44 48.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 73.040000000000006 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -98.47 -35.2 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 75.030000000000001 110.883 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 98.54 -7.48 61.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 70.019999999999996 112.507 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 133.51 55.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 61.240000000000002 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 89' ' ' ALA . 37.3 mm -87.71 135.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.430000000000007 111.18 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.98 157.96 15.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 73.120000000000005 112.502 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.26 -10.64 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 51.520000000000003 111.095 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.86 -12.05 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 70.519999999999996 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -127.12 -1.25 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 71.420000000000002 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -77.11 -71.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -35.11 34.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.915 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.57 -25.99 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.130000000000003 110.899 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.7 ppp? -87.61 -18.18 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 55.43 110.891 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 36' ' ' SER . 13.1 t -80.17 -77.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 74.519999999999996 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -48.93 -33.37 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.310000000000002 110.918 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.129999999999995 110.853 -179.805 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.845 0.355 . . . . 72.140000000000001 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.703 HD13 HD13 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.2 -70.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 53.25 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.27 24.35 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.099999999999994 111.138 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.03 -11.93 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.399999999999999 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.703 HD13 HD13 ' A' ' 2' ' ' LEU . 4.9 mp -123.68 -43.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 62.140000000000001 111.139 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 34' ' ' GLY . 6.5 mt -128.03 158.24 38.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.120000000000005 110.941 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.83 160.89 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 75.200000000000003 110.829 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 74.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 p -55.28 -31.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.400000000000006 110.838 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.6 -35.55 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 33.509999999999998 110.84 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.29 -54.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.329999999999998 111.089 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.06 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 62.020000000000003 111.065 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . . . -57.96 -19.91 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 40.140000000000001 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -100.35 -18.26 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.310000000000002 111.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.708 HD13 ' CD ' ' A' ' 71' ' ' GLU . 18.9 mt -75.22 -57.15 4.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 75.010000000000005 110.967 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -75.77 -3.57 35.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.230000000000004 110.893 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.31 -39.82 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -134.74 24.73 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.049999999999997 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -49.95 -39.56 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.519999999999996 110.933 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.14 152.37 4.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 71.239999999999995 111.124 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.51 53.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.724 2.283 . . . . 72.219999999999999 112.354 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.98 17.09 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.91 -18.12 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 65.049999999999997 110.836 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.63 161.3 14.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 73.299999999999997 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.78 156.85 36.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 74.129999999999995 110.863 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.71 -26.74 27.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 72.510000000000005 112.357 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 22.38 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 61.130000000000003 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -122.65 16.27 10.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.450000000000003 110.932 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -116.89 -18.31 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.430000000000007 110.924 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -83.14 -8.98 59.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 64.230000000000004 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.11 -39.98 15.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 74.310000000000002 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -87.4 -28.42 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 111.111 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.665 ' OG ' HD13 ' A' ' 6' ' ' LEU . 5.2 t -95.82 -69.01 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.040000000000006 110.898 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.707 ' O ' HD21 ' A' ' 6' ' ' LEU . . . 122.03 61.62 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.150000000000006 112.494 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.606 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.5 mtp -89.16 -51.11 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 65.120000000000005 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -52.81 -33.98 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.200000000000003 110.817 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.79 -24.78 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 71.109999999999999 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -77.35 -162.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.319999999999993 110.87 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 t -120.93 158.33 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 34.530000000000001 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.41 -26.77 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 63.109999999999999 110.847 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -76.77 -27.86 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.420000000000002 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -87.43 -33.04 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.957 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -75.92 -21.29 57.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 110.916 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -16.51 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 110.887 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.45 -46.67 63.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 71.439999999999998 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.1 mt -51.71 -33.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.310000000000002 111.085 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -31.2 63.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.230000000000004 110.878 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -5.53 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.329999999999998 110.857 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.459 HG22 ' HE ' ' A' ' 69' ' ' ARG . 24.1 mm -106.6 -15.01 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.409999999999997 111.161 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -25.64 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 71.319999999999993 110.921 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -67.71 118.85 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.519999999999996 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.48 -2.49 28.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 110.848 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -0.25 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 71.430000000000007 110.888 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 51.71 21.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -68.79 -17.99 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.040000000000006 110.88 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.31 -19.09 13.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.742 . . . . 64.340000000000003 112.534 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.57 167.18 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 55.119999999999997 110.922 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.57 101.26 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.340000000000003 111.168 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.37 161.47 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 110.892 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.27 -29.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 71.239999999999995 110.851 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.03 -26.28 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -110.74 -17.25 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.5 -29.8 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 62.399999999999999 110.927 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.0 ptpt -63.12 -16.77 61.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.109999999999999 110.877 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD1' HG12 ' A' ' 76' ' ' VAL . 36.8 m-85 -100.18 41.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.120000000000005 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' HB3' HD11 ' A' ' 77' ' ' LEU . 58.9 t80 -78.6 -22.62 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 63.450000000000003 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 67' ' ' LEU . 5.3 mt -90.19 -3.74 57.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 110.94 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 0.46 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -101.71 -30.91 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.651 ' O ' HD11 ' A' ' 15' ' ' LEU . 67.0 m-85 -100.58 -18.48 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.099999999999994 110.85 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.708 ' CD ' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -116.01 -35.83 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 63.530000000000001 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m 62.15 62.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 61.450000000000003 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.08 -15.13 1.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 55.420000000000002 112.507 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.43 179.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 71.010000000000005 111.121 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -76.86 -178.15 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.1 m -100.26 -168.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 82' ' ' THR . 20.1 mt -103.93 133.38 48.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 70.439999999999998 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 80' ' ' SER . 11.5 t -76.59 179.38 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.019999999999996 111.158 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.61 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 55.030000000000001 111.091 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.784 ' H ' HG23 ' A' ' 78' ' ' THR . 38.4 t -101.17 -10.91 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 51.420000000000002 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 78' ' ' THR . 10.2 mm-40 -97.95 -59.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 64.510000000000005 110.883 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.83 -48.22 73.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.420000000000002 111.111 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -49.71 -51.01 41.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.9 m -51.66 -52.48 47.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 111.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 63' ' ' LEU . 15.4 t80 -56.8 -44.27 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.010000000000005 110.87 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 tp -68.37 -16.15 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.76 -16.62 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.209999999999994 111.125 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.43 -17.07 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.219999999999999 111.088 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -124.69 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 111.079 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.522 ' HB2' HD13 ' A' ' 97' ' ' ILE . 29.8 t70 -104.04 26.43 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.230000000000004 110.862 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -49.93 -14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 73.349999999999994 110.864 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -64.45 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 70.010000000000005 110.837 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 44.45 4.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 63.420000000000002 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.72 -27.44 12.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 65.340000000000003 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.0 15.65 60.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 71.209999999999994 112.495 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 133.67 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 74.109999999999999 110.906 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.8 mm -75.11 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.340000000000003 111.105 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 157.1 19.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 63.299999999999997 112.476 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.16 -6.38 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 63.119999999999997 111.1 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -101.88 -24.18 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -110.84 0.11 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 51.149999999999999 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -75.88 -67.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.439999999999998 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -35.47 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 75.310000000000002 110.908 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -27.56 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.099999999999994 110.918 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.612 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.8 ppp? -85.91 -17.71 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.874 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.957 HG11 HD22 ' A' ' 43' ' ' LEU . 17.4 t -79.85 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.5 -35.38 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.239999999999995 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.119999999999997 110.842 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.803 0.335 . . . . 74.51 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.29 -1.7 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 34.22 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.29 -66.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.01 111.137 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 34' ' ' GLY . 14.9 mt -96.83 158.14 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.957 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 160.16 76.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 75.44 110.857 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 51.04 112.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -57.42 -31.34 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.883 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.43 -35.5 65.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 64.43 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.41 -51.09 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 63.15 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.28 -31.08 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 51.22 111.144 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -81.58 -28.22 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.069 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 ' C ' ' A' ' 70' ' ' PHE . 11.3 mt -69.77 -54.5 13.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 73.54 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -66.92 -26.16 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.89 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.78 -51.32 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -133.08 42.92 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.931 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 151.7 43.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.532 0.682 . . . . 55.21 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.11 59.14 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.257 . . . . 74.41 112.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t0 51.44 28.99 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.89 -25.86 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.53 110.886 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 77' ' ' LEU . 9.2 p90 -94.91 -176.71 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.871 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.35 160.21 32.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 53.05 110.866 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.586 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.71 -24.05 30.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.718 2.278 . . . . 55.41 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.11 29.57 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -135.33 22.2 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.873 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -1.66 9.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.858 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -96.84 -11.85 24.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 62.23 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.82 -36.71 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.971 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.8 mp -88.44 -31.2 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.161 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -89.97 -69.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 63.43 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.68 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.49 32.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 52.34 112.505 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.601 ' O ' HD21 ' A' ' 43' ' ' LEU . 65.9 mtp -64.03 -49.18 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 72.43 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 106' ' ' VAL . 57.0 p -53.05 -33.78 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.9 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -21.78 66.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.15 152.35 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 64.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -74.05 160.08 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 61.4 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.69 -25.94 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 61.12 110.875 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -77.27 -36.78 54.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.873 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.37 -29.73 61.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.42 110.94 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 106' ' ' VAL . 5.4 mt -75.75 -12.86 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.952 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -82.21 -32.59 29.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.89 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -55.35 -29.2 57.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.03 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 50' ' ' LEU . 6.1 mt -76.43 -39.02 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -38.05 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.876 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -13.85 56.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.861 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HH21 ' A' ' 69' ' ' ARG . 5.3 mm -99.07 -15.11 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.135 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.79 -25.35 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.905 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -68.15 94.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.882 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.39 8.0 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.912 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.33 -13.61 7.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.05 110.858 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 60.7 15.31 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.34 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -35.92 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.803 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.61 -13.48 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 71.14 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -132.39 169.79 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.44 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.5 80.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 63.33 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.21 172.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.94 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.96 -32.84 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 72.4 110.91 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -19.35 63.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 71.15 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.49 -11.04 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -81.63 -28.84 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 74.01 110.917 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -64.48 -12.89 48.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.902 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE1' HG12 ' A' ' 76' ' ' VAL . 12.6 m-85 -97.33 24.08 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.901 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 77' ' ' LEU . 36.3 t80 -55.36 -35.1 64.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.42 110.872 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -79.36 -12.36 59.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 61.51 110.923 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 6.42 43.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.905 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.648 HH21 HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -103.12 -33.18 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.604 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.0 m-85 -100.38 -20.89 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.84 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' HG2' HD13 ' A' ' 15' ' ' LEU . 2.4 tm-20 -111.86 -35.61 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m 62.19 59.08 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.87 -19.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 53.54 112.517 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 179.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 24.14 111.123 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.14 177.95 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 61.24 110.878 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.7 m -95.85 -166.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 71.12 111.101 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 67' ' ' LEU . 26.3 mt -103.81 160.45 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.44 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -104.83 -179.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 70.21 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.7 -11.57 46.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.102 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 38.3 t -102.91 -1.36 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.01 110.836 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HG2' HG22 ' A' ' 78' ' ' THR . 25.4 mm-40 -113.15 -64.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.889 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.86 -48.69 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.5 111.144 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -53.61 -51.78 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.24 110.886 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -55.28 -57.9 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.2 111.156 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -50.47 -45.42 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.436 ' HA ' HD11 ' A' ' 97' ' ' ILE . 14.5 tp -64.77 -36.93 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.18 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.145 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.24 -16.31 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.747 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.65 -55.24 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.125 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 27.1 t70 -59.19 -72.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.93 10.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.517 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.4 m-20 -106.3 -15.19 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.18 43.9 30.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 73.22 112.48 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -117.77 -17.14 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 73.11 110.884 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.42 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 75.73 21.6 76.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 72.11 112.508 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -147.95 126.39 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.23 110.873 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.3 mm -79.96 144.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 62.13 111.128 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.94 15.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 64.45 112.49 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.02 5.25 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 71.41 111.102 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -115.56 -19.62 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -112.87 9.68 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 75.03 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -91.8 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 51.44 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -39.89 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.887 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.35 -33.07 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.929 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -78.95 -15.01 58.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.834 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG11 ' CD2' ' A' ' 43' ' ' LEU . 12.8 t -85.28 -78.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 72.4 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.13 -35.4 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.827 -179.776 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.807 0.337 . . . . 64.54 111.168 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.32 -3.85 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 43.13 110.849 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.619 HG23 HE21 ' A' ' 42' ' ' GLN . 5.2 mp -140.85 -46.59 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.52 111.139 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.626 HD13 ' OG ' ' A' ' 33' ' ' SER . 8.2 mt -125.93 158.51 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.917 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.06 160.44 78.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 63.33 110.856 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 70.02 112.374 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.4 p -53.96 -46.26 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.844 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.1 -35.36 73.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.847 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.33 -52.86 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 62.24 111.122 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.69 -23.38 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.42 111.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.47 -23.38 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 52.5 111.089 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.32 -26.83 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 52.2 111.091 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD13 ' HG2' ' A' ' 71' ' ' GLU . 51.4 mt -69.77 -55.22 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -70.53 -11.91 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.45 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.79 -40.56 61.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -134.42 36.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 52.31 110.882 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.42 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.3 110.875 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.12 151.89 4.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 40.22 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.36 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 54.44 112.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t0 62.89 16.2 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.07 -37.53 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 55.43 110.889 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.95 170.27 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 73.2 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -157.73 148.89 16.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 61.35 110.853 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.82 -11.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 53.3 112.334 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.92 25.28 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 54.34 110.889 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.94 18.36 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.872 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -118.75 -20.27 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -82.96 -8.85 59.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.4 -38.65 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.91 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.5 mp -88.58 -25.91 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.15 111.093 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.626 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.3 t -94.69 -69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.852 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.87 31.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.474 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.599 ' O ' HD21 ' A' ' 43' ' ' LEU . 53.5 mtp -63.33 -49.98 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 55.34 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' HG12 ' A' ' 106' ' ' VAL . 83.0 p -54.01 -33.39 57.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.23 110.891 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -63.8 -15.98 60.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.21 158.94 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 65.15 110.94 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 t -73.81 -179.72 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 72.3 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -16.6 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 64.13 110.848 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -89.65 -11.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.01 110.851 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.619 HE21 HG23 ' A' ' 5' ' ' ILE . 11.9 mt-30 -94.5 -35.7 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.02 110.88 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 106' ' ' VAL . 2.8 mt -73.13 -20.29 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -23.0 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.25 110.866 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.22 -46.64 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 52.13 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.2 mp -55.8 -37.51 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 61.22 111.15 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -39.57 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.893 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -12.96 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 70.34 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.7 mm -99.04 -13.03 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.41 111.169 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.48 -25.75 17.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.93 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -69.16 117.46 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.18 10.62 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -1.65 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 52.54 20.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 55.21 110.906 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -71.07 -27.8 63.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.04 -16.55 7.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 54.44 112.452 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -133.0 169.28 17.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 74.24 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mt -116.98 83.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.12 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.31 174.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.1 110.898 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -62.86 -31.01 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 65.11 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.97 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -113.49 -29.45 7.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -58.6 -42.15 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 40.52 110.932 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 8.5 ptpt -51.4 -29.51 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.912 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 76' ' ' VAL . 80.7 m-85 -94.66 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 70.22 110.933 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -79.06 -25.34 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.74 -13.14 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 63.54 110.922 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -0.48 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.904 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -99.39 -30.99 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 70.14 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.558 ' O ' HD11 ' A' ' 15' ' ' LEU . 60.8 m-85 -104.88 -18.15 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.892 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -113.81 -24.81 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.52 110.892 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.9 p 48.14 61.89 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 42.02 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.22 -15.36 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 65.21 112.479 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.55 175.64 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 65.32 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.7 -170.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 62.42 110.882 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.9 m -106.68 -166.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 54.23 111.184 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 67' ' ' LEU . 52.9 mt -103.92 134.67 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 10.5 t -76.35 -179.25 5.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.151 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 -11.76 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 33.8 t -104.64 -8.06 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.14 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 78' ' ' THR . 18.4 mm-40 -98.39 -58.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.858 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.613 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.13 -48.96 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.53 111.172 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.09 -46.57 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.919 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.5 m -55.68 -53.0 61.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.133 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -54.32 -48.34 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.34 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 15.4 tp -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.41 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.11 2.69 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.8 -15.12 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 52.21 111.115 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.44 -55.9 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.603 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.41 -72.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 61.88 10.84 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 71.32 110.811 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.15 -14.29 15.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 53.14 110.854 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.93 73.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 70.12 112.488 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.5 -39.22 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 74.34 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.69 18.13 52.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.505 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 120.85 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.709 0.29 . . . . 70.12 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.603 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.9 mm -73.28 153.05 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.42 111.145 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -138.53 -148.66 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 33.4 112.502 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.59 1.27 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 51.14 111.061 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.96 -0.45 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -133.31 5.35 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.21 110.905 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -94.01 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.32 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -37.43 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 72.05 110.858 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.29 -31.42 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.774 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.0 OUTLIER -82.12 -15.64 52.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.89 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 43' ' ' LEU . 13.8 t -84.22 -78.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -35.59 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 63.53 110.901 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.851 -179.799 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.795 0.331 . . . . 60.42 111.135 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -126.51 -1.66 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.15 110.843 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.42 HG23 ' NE2' ' A' ' 42' ' ' GLN . 5.3 mp -143.23 -67.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.102 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD13 ' OG ' ' A' ' 33' ' ' SER . 12.3 mt -96.94 159.09 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 42.24 110.934 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 160.86 77.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 65.22 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.84 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 71.51 112.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -53.7 -46.63 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 60.44 110.813 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.3 -35.01 73.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.885 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.74 -52.84 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.68 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 23.15 111.124 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.95 -25.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 51.11 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -88.35 -45.85 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 54.14 111.121 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 70' ' ' PHE . 15.1 mt -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.9 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -73.29 -31.64 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.95 -40.22 63.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.55 110.916 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.1 m -138.95 41.15 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 65.04 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.67 -37.62 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.931 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.21 153.3 3.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 64.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.93 52.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 75.4 112.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 54.91 26.44 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.31 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -111.27 -24.12 10.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.68 175.1 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 51.2 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -149.94 152.55 34.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 74.32 110.884 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.679 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.76 -12.25 32.51 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 72.24 112.365 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 22.39 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.04 110.94 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -131.88 14.88 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 62.24 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.5 -9.44 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -90.48 -13.79 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.35 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.44 -31.92 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.3 mp -94.87 -31.12 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 64.22 111.148 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.667 ' OG ' HD13 ' A' ' 6' ' ' LEU . 7.5 t -88.31 -69.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.52 110.834 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.599 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.62 30.06 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 33.32 112.458 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.614 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.3 mtp -63.07 -54.06 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 45.43 110.829 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -34.06 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.841 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -59.61 -20.71 57.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -162.24 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.91 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -120.88 160.43 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.47 -25.37 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 61.13 110.867 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -27.94 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.865 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' HG23 ' A' ' 5' ' ' ILE . 23.7 mt-30 -86.99 -30.75 21.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.887 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.905 HD22 HG11 ' A' ' 106' ' ' VAL . 2.4 mt -78.37 -20.57 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.932 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -16.34 60.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.04 110.91 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.55 -50.78 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.882 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.7 mt -50.86 -34.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.083 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -37.74 68.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -11.87 54.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.845 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.3 mm -99.33 -13.37 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.173 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.83 -25.72 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -69.6 118.64 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 71.24 110.922 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.93 9.59 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.12 -0.61 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.887 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 52.86 20.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 60.54 110.921 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.77 -23.49 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.812 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.99 -11.52 17.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 72.42 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -133.58 164.4 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.3 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.66 89.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 62.1 111.144 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.02 174.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.12 -33.02 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.52 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -61.65 -16.65 50.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 62.45 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.6 -18.13 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.72 -29.71 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 61.13 110.892 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -19.81 62.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 71.35 110.848 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -95.14 21.01 8.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 72.24 110.946 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -55.52 -32.09 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 77' ' ' LEU . 1.1 mt -80.69 -14.52 58.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 51.4 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 6.78 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -103.62 -30.76 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.575 ' CB ' HD11 ' A' ' 15' ' ' LEU . 68.2 m-85 -100.04 -26.15 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.891 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.6 tt0 -111.72 -34.22 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.881 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t 62.96 59.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.875 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.32 -20.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 74.31 112.45 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 174.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 52.43 111.127 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -174.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.872 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -113.06 151.68 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 65.44 111.096 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 67' ' ' LEU . 24.4 mt -57.04 134.43 55.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.893 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 80' ' ' SER . 10.2 t -77.31 -175.57 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.124 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.89 -9.65 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 78' ' ' THR . 31.6 t -110.13 -4.81 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.826 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 78' ' ' THR . 40.6 mt-10 -98.53 -60.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.77 -48.57 59.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.139 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -51.1 -46.68 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 26' ' ' PRO . 29.3 m -59.69 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.25 111.127 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.43 -47.52 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.859 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.506 ' HA ' HD11 ' A' ' 97' ' ' ILE . 10.0 tp -64.6 -36.45 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 70.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.68 1.63 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.127 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.78 -16.64 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.122 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -114.87 -55.92 2.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.073 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 32.6 t70 -59.06 -71.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 51.1 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 60.27 9.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 -105.55 -18.65 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.34 16.79 73.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 62.2 112.482 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.35 -33.75 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 72.12 110.872 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.33 56.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 25.43 112.48 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.24 126.85 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 74.22 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 89' ' ' ALA . 49.2 mm -71.83 145.06 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.51 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' A' ' 101' ' ' GLU . . . -122.93 157.07 17.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 55.04 112.494 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -4.51 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 61.1 111.144 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -104.58 -21.08 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 98' ' ' GLY . 3.7 pt-20 -111.43 0.12 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -78.21 -67.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.46 31.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.05 -30.34 61.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.876 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.79 -16.77 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 54.51 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.905 HG11 HD22 ' A' ' 43' ' ' LEU . 20.5 t -80.61 -77.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.158 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.53 -35.05 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.826 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.817 0.342 . . . . 75.34 111.188 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.3 -12.08 15.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.31 110.896 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.598 HG23 HE21 ' A' ' 42' ' ' GLN . 2.2 mp -118.08 -46.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.59 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.4 mt -131.06 158.91 39.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 75.34 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.6 160.9 78.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.723 0.773 . . . . 75.24 110.797 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 55.21 112.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.38 -46.57 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.837 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.52 -35.37 74.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.851 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.5 mt -75.51 -50.7 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.2 111.127 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.46 -26.6 43.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.118 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.66 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 62.11 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.14 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 55.4 mt -57.83 -50.45 73.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.929 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.28 -44.21 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.884 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 m -134.06 41.35 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 32.42 110.913 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.19 -31.48 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.01 110.945 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.18 150.6 2.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.542 0.687 . . . . 63.15 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.78 65.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 64.25 112.379 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.43 33.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.87 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.97 -35.35 3.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.805 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.8 174.99 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.5 110.9 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.85 155.39 31.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 72.01 110.816 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.77 -12.7 33.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 75.42 112.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 35.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.31 110.882 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -129.04 20.82 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.905 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 0.23 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.879 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -106.63 -13.31 15.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -91.27 -29.47 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 65.42 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -99.57 -24.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 65.51 111.184 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.2 t -99.06 -68.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.26 33.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.478 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.56 ' O ' HD21 ' A' ' 43' ' ' LEU . 50.2 mtp -63.24 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 73.04 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.8 p -53.95 -35.25 61.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 64.34 110.874 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.76 -15.56 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 72.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -84.34 -163.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -120.62 158.74 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.869 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.421 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.65 -31.61 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.815 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -73.6 -35.52 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 72.2 110.864 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.598 HE21 HG23 ' A' ' 5' ' ' ILE . 13.0 mt-30 -73.57 -46.35 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 74.12 110.902 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -62.65 -18.29 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.05 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -26.66 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.1 110.925 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.35 -46.01 89.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 50' ' ' LEU . 5.1 mt -53.17 -40.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 71.23 111.117 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -40.15 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -12.47 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.835 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.3 mm -97.74 -17.24 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.103 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -92.0 -25.5 18.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.901 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.46 117.8 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.73 -2.5 21.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 61.13 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.34 0.25 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.846 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.28 22.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -69.08 -14.83 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.63 -20.35 18.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 32.11 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -132.45 171.79 13.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 74.04 110.916 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -119.37 100.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.23 111.135 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.56 167.64 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 65.33 110.883 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -53.17 -29.85 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.842 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -61.84 -22.62 65.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.869 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.21 -17.43 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.886 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.29 -29.5 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.925 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.5 ptpt -62.28 -28.6 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 65.02 110.862 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 76' ' ' VAL . 74.7 m-85 -91.61 23.54 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.05 110.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.77 -28.89 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.906 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.91 -13.73 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 6.01 30.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -104.7 -30.64 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.514 ' CB ' HD11 ' A' ' 15' ' ' LEU . 37.0 m-85 -101.06 -18.83 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.822 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -116.71 -22.65 8.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p 48.36 60.87 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.834 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.51 -18.43 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 178.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 74.42 111.088 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.61 175.15 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.7 m -93.26 -168.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 67' ' ' LEU . 78.8 mt -103.86 139.71 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.21 110.876 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.87 -177.42 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 53.44 111.18 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.11 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.31 111.097 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -108.47 -8.5 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 41.14 110.868 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 78' ' ' THR . 5.8 mm-40 -96.21 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.22 110.86 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.53 -48.46 63.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.167 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.58 -49.67 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.7 m -52.36 -56.49 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 62.52 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.85 -47.43 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.91 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 29.3 tp -63.81 -34.3 77.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.921 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.02 3.28 49.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.02 111.132 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.76 -16.82 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 55.04 111.064 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.95 -56.06 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.04 111.081 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.626 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.16 -69.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.882 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 55.39 17.21 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 71.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.06 -11.94 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.87 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.8 78.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.438 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.23 -39.44 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 62.34 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.37 41.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 53.31 112.5 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.3 119.84 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 74.44 110.906 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.626 HD13 ' OD2' ' A' ' 90' ' ' ASP . 13.6 mm -68.78 152.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 63.24 111.148 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -134.28 -148.97 5.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.1 112.449 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.71 -1.58 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 54.22 111.114 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -113.89 -2.47 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.07 0.06 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.914 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HD2' HG21 ' A' ' 97' ' ' ILE . 44.0 t80 -86.52 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 62.32 110.856 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -36.73 38.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 62.2 110.904 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -31.97 63.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.898 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.636 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -81.5 -16.17 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.864 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 43' ' ' LEU . 15.0 t -83.08 -78.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.42 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.03 -35.57 78.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.917 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.802 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 52.41 111.149 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -1.07 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.905 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.446 HD11 ' HB2' ' A' ' 45' ' ' GLU . 5.4 mp -142.58 -67.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 52.3 111.167 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 34' ' ' GLY . 7.0 mt -97.11 158.7 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.922 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.51 160.51 77.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.748 . . . . 70.44 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 62.12 112.355 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -46.9 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.22 110.865 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.75 -34.27 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 75.04 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.2 -51.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 70.01 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.87 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 45.23 111.079 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.73 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.084 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.98 -34.24 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 61.53 111.102 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.638 HD11 ' O ' ' A' ' 70' ' ' PHE . 21.6 mt -59.76 -56.43 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 71.04 110.912 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -29.94 68.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.24 110.907 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -51.28 -47.97 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -135.84 42.96 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -57.8 -36.6 72.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.954 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.18 4.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 64.44 111.142 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.74 65.72 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 72.54 112.334 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.58 35.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -117.72 -1.44 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.51 110.833 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.93 169.87 12.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.51 110.875 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.72 162.3 52.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.683 0.754 . . . . 71.54 110.854 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.732 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.3 Cg_endo -69.8 -11.22 30.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 72.01 112.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 25.77 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.76 9.76 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.68 -29.54 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -69.18 -10.91 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.88 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -86.73 -32.26 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.3 mp -96.96 -28.59 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.137 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB2' HD13 ' A' ' 6' ' ' LEU . 91.6 p -90.14 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 50.32 110.859 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 120.51 34.3 0.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 72.34 112.445 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.2 mtp -64.72 -51.45 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 72.03 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 106' ' ' VAL . 9.7 p -53.18 -33.28 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.881 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -60.57 -20.63 61.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -84.21 -165.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.849 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -121.06 179.29 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.32 52.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.11 110.88 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 m -98.87 -19.37 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.21 110.859 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.402 ' NE2' HG23 ' A' ' 5' ' ' ILE . 18.5 mt-30 -92.99 -46.93 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.708 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.5 mt -59.34 -22.58 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.1 110.929 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.43 -27.16 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.33 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 5' ' ' ILE . 58.8 mm-40 -61.16 -23.79 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 54.52 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 ' NH2' ' A' ' 69' ' ' ARG . 6.1 mt -77.46 -31.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.132 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -25.29 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.903 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 0.24 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.858 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.0 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.628 HD21 HH11 ' A' ' 69' ' ' ARG . 1.5 mp -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 62.22 110.947 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -67.42 117.28 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.51 110.874 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.1 -5.12 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -0.81 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 55.01 110.878 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.85 21.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 70.51 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -14.19 62.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.902 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.87 -20.59 17.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.2 112.479 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.01 170.19 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 75.35 110.853 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -118.34 94.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.11 165.09 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.27 -27.43 22.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 44.22 110.875 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.22 -24.27 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 -31.89 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.0 -26.85 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -64.46 -9.37 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 72.15 110.916 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' HG12 ' A' ' 76' ' ' VAL . 10.6 m-85 -100.26 48.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.34 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 67' ' ' LEU . 73.4 t80 -80.25 -19.8 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 75.03 110.885 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -99.03 -9.4 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.892 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 1.7 57.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 61.11 110.958 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.628 HH11 HD21 ' A' ' 50' ' ' LEU . 5.4 ptm180 -105.84 -30.21 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' O ' HD11 ' A' ' 15' ' ' LEU . 63.0 m-85 -98.44 -23.82 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.864 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -113.67 -34.01 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t 63.56 65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.73 -16.19 1.41 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 60.21 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -176.24 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 74.51 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -81.24 176.46 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG12 ' CE1' ' A' ' 65' ' ' TYR . 4.3 m -95.87 -168.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 64.14 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.5 mt -104.47 140.58 37.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.947 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 80' ' ' SER . 9.6 t -76.74 -179.41 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.42 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.5 -8.85 54.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.793 ' H ' HG23 ' A' ' 78' ' ' THR . 47.2 t -104.07 -12.05 16.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.82 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.782 ' HG3' HG22 ' A' ' 78' ' ' THR . 2.1 mt-10 -95.02 -61.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -51.6 -48.72 63.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.51 111.123 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -49.86 -46.08 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 55.54 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.732 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -57.91 -57.69 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 72.33 111.155 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.32 -51.11 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 1.1 tp -63.54 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.24 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.99 -2.62 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.41 111.084 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.58 -14.55 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.22 111.086 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -116.93 -55.84 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.102 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 3.9 t70 -61.08 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 55.04 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 54.71 14.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.514 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 10.7 m-20 -105.61 -17.78 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.41 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.3 61.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 61.21 112.489 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -100.59 -17.85 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.45 110.895 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.28 19.99 79.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 43.33 112.496 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.17 133.89 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 54.12 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 89' ' ' ALA . 35.2 mm -88.25 144.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -119.3 -172.45 15.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 44.43 112.511 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 4.81 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.34 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.7 2.68 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.892 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -127.58 -0.42 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.886 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -93.11 -59.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.868 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 52.05 110.911 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.0 -31.18 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 64.35 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -81.08 -17.67 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 60.41 110.86 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.708 HG11 ' CD2' ' A' ' 43' ' ' LEU . 16.7 t -79.89 -77.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.23 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.1 110.949 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.851 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.751 0.31 . . . . 75.24 111.13 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -122.26 -4.05 8.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.904 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 HE21 ' A' ' 42' ' ' GLN . 5.4 mp -139.98 -40.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.737 HD13 ' OG ' ' A' ' 33' ' ' SER . 10.5 mt -125.4 159.25 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.917 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.59 160.4 79.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.675 0.75 . . . . 71.13 110.854 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 73.3 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -58.78 -21.13 55.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.889 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.64 -35.43 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 71.1 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.2 mt -80.31 -40.34 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.142 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 -21.22 63.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 35.11 111.105 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.12 -23.87 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.47 -32.15 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.51 111.054 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 70' ' ' PHE . 30.4 mt -58.56 -60.11 4.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 41.52 110.92 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -67.33 -30.43 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.54 110.857 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.73 -39.49 52.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 64.52 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -141.54 40.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 63.54 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.23 -33.3 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.925 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.32 15.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.547 0.689 . . . . 54.14 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 150.74 68.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 74.21 112.321 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 42.83 34.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 70.13 110.878 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.51 10.94 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.845 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.64 176.26 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.894 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.18 160.2 40.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.4 110.885 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.5 Cg_endo -69.76 -14.61 36.33 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 74.13 112.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.7 32.69 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 54.43 110.935 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -133.36 13.29 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.09 -16.81 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.32 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -84.82 -12.08 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.874 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -82.95 -38.53 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -87.27 -31.32 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.737 ' OG ' HD13 ' A' ' 6' ' ' LEU . 1.4 t -88.55 -68.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.4 110.875 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.07 29.22 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.5 mtp -59.91 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 70.35 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 p -54.33 -34.79 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 51.42 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.91 -15.9 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.864 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.01 -161.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 71.31 110.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -120.62 159.05 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.806 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.554 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.03 -45.75 52.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 71.01 110.845 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 t -61.27 -36.77 80.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.41 HE21 HG23 ' A' ' 5' ' ' ILE . 17.6 mt-30 -73.68 -36.52 65.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 106' ' ' VAL . 4.1 mt -74.27 -13.46 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -73.41 -31.5 63.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.36 -49.18 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.864 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -52.67 -43.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.3 111.147 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -38.2 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 41.05 110.871 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.79 58.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.7 -13.28 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.122 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.44 -25.56 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.92 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -70.05 118.69 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.32 15.74 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.51 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.25 0.89 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 51.37 21.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.32 110.919 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -73.98 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.51 110.885 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.36 -11.58 21.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 43.32 112.452 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.23 166.85 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 72.13 110.875 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.87 89.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.07 175.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.893 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.35 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 70.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -61.39 -17.9 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 72.51 110.831 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.48 -18.06 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.872 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -73.91 -28.58 61.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.906 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.4 ptpt -60.65 -24.62 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.924 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.429 ' CD1' HG12 ' A' ' 76' ' ' VAL . 25.1 m-85 -93.1 22.25 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 77' ' ' LEU . 51.2 t80 -56.3 -24.98 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 63.14 110.881 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -87.75 -14.95 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.904 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.34 12.44 10.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -107.67 -31.16 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.865 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.704 ' HB2' HD21 ' A' ' 15' ' ' LEU . 94.5 m-85 -98.21 -21.58 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 2.6 tm-20 -117.44 -31.8 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 54.3 110.887 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 63.42 55.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.89 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.24 -21.24 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.32 112.503 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.89 176.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 64.15 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG3' HD12 ' A' ' 67' ' ' LEU . 2.8 ptp180 -69.34 -174.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.3 110.876 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -109.58 -168.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 62.22 111.153 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 67' ' ' LEU . 23.5 mt -104.25 131.83 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.835 HG23 ' H ' ' A' ' 80' ' ' SER . 11.8 t -76.69 -177.03 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 75.15 111.154 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.42 -11.78 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 42.01 111.098 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.835 ' H ' HG23 ' A' ' 78' ' ' THR . 44.9 t -105.91 -6.35 18.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.871 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.2 mt-10 -99.26 -59.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.919 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.97 -48.46 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.24 111.162 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -50.08 -46.66 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.44 110.893 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.646 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.6 m -59.44 -58.46 8.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.162 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -52.23 -47.77 65.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 71.53 110.899 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HA ' HD11 ' A' ' 97' ' ' ILE . 11.6 tp -64.16 -36.58 84.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.932 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.29 3.0 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 54.15 111.091 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.92 -16.28 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.145 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.17 -56.16 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 55.35 111.056 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 31.9 t70 -59.05 -71.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.864 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 60.44 10.06 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.874 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.6 m-20 -105.63 -19.76 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.71 16.66 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 54.11 112.537 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.34 -38.23 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 75.43 110.871 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.04 13.86 38.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 62.32 112.495 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 126.14 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 71.13 110.915 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 46.8 mm -74.29 143.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.24 111.138 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.26 174.91 15.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 72.41 112.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.37 4.62 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 64.45 111.098 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -115.0 -19.75 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.872 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -113.09 6.66 17.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.902 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -88.22 -65.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -37.2 41.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 72.22 110.885 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -32.83 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.894 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.411 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -79.69 -16.46 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 52.32 110.89 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 43' ' ' LEU . 17.5 t -81.55 -77.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.14 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.02 -35.37 79.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.882 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 50.14 110.896 -179.846 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.779 0.323 . . . . 72.14 111.158 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -123.37 -2.09 8.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.865 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.455 HD12 ' C ' ' A' ' 4' ' ' ASP . 5.3 mp -143.15 -47.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.24 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' C ' ' A' ' 34' ' ' GLY . 9.2 mt -125.83 159.42 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 34.42 110.928 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.47 160.42 79.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 73.34 110.916 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.02 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.238 . . . . 64.43 112.347 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -46.83 71.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.812 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 33' ' ' SER . 1.2 m-20 -59.62 -35.09 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.25 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -75.6 -50.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 65.22 111.103 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -30.87 48.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.33 111.089 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.16 -23.93 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.121 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -91.16 -45.04 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 50.41 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 71' ' ' GLU . 38.3 mt -57.67 -50.45 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -71.52 -31.48 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -46.13 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.05 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.8 m -136.05 42.61 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.25 -38.46 71.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 61.31 110.909 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.95 148.55 13.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 31.2 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.08 69.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 71.23 112.374 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 60.06 18.51 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.33 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.95 -12.17 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.879 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.34 166.85 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 63.13 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.22 161.18 35.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.687 0.756 . . . . 61.51 110.852 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.724 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.77 -11.3 30.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 72.53 112.352 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.28 32.65 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.891 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -127.93 20.16 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.905 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.49 7.06 8.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -115.55 -10.35 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -94.64 -25.46 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.93 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.1 mp -99.47 -25.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 65.03 111.158 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 19.8 p -100.35 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.443 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.98 37.99 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 64.3 112.555 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 43' ' ' LEU . 46.7 mtp -66.01 -48.68 70.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 72.3 110.88 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 p -54.15 -33.3 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.83 -13.5 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 53.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -93.13 154.85 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.884 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -74.99 160.54 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 60.34 110.838 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.58 -29.32 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.919 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -74.24 -33.5 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 61.22 110.842 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' HG23 ' A' ' 5' ' ' ILE . 19.0 mt-30 -70.07 -48.0 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 62.55 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.722 ' CD2' HG11 ' A' ' 106' ' ' VAL . 3.7 mt -62.32 -20.91 64.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -70.7 -21.24 62.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.88 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB2' HD11 ' A' ' 5' ' ' ILE . 28.0 mm-40 -61.51 -46.57 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.7 mp -58.93 -36.85 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.22 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.33 -37.59 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -10.91 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.44 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.58 -14.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 63.42 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -90.16 -25.72 20.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.894 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.29 118.77 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 62.41 110.867 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.52 8.45 31.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -0.55 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.873 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 52.81 20.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.895 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -69.8 -25.56 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.72 10.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 70.41 112.473 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -133.28 166.87 21.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 72.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.67 95.98 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.189 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.66 176.38 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.9 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.59 -33.5 74.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.889 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.85 -17.99 53.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.85 -19.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.87 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -71.94 -29.11 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 63.14 110.921 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 7.3 ptpt -61.94 -24.48 67.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.934 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 76' ' ' VAL . 23.4 m-85 -92.13 21.61 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.948 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.6 t80 -56.45 -26.32 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 65.11 110.923 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.29 -12.1 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.17 13.24 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.14 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -109.85 -31.1 7.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.848 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.73 -23.5 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.9 tp10 -116.07 -29.34 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 45.35 110.839 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 t 63.45 57.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.865 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.52 -18.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.24 112.461 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 179.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 61.23 111.055 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.04 175.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -98.58 -167.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.43 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 67' ' ' LEU . 46.0 mt -103.76 136.95 42.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.76 -177.94 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.158 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -9.58 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 55.35 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.805 ' H ' HG23 ' A' ' 78' ' ' THR . 4.9 t -108.3 -7.6 15.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 55.24 110.903 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.728 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.3 mm-40 -95.67 -60.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 75.15 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -52.9 -48.73 67.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 72.5 111.168 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -49.69 -47.74 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.724 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.8 m -55.53 -56.86 15.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 71.44 111.117 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -52.21 -47.03 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.83 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.666 HD21 ' HA2' ' A' ' 95' ' ' GLY . 32.4 tp -63.87 -34.7 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.911 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.45 5.99 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.087 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.93 -16.04 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.606 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.99 -55.96 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 71.32 111.126 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.602 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -62.68 -69.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.915 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 56.89 15.65 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -115.88 -11.18 11.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 54.33 110.899 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.37 45.13 49.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.523 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.49 -16.83 14.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 62.21 110.844 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.666 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 68.03 10.79 59.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 42.33 112.492 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 123.57 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 74.34 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.602 HD13 ' OD2' ' A' ' 90' ' ' ASP . 8.3 mm -77.0 150.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.127 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.76 -156.45 7.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 42.11 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.69 37.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.722 0.296 . . . . 64.24 111.114 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -116.1 -2.93 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.896 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.506 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -131.67 6.95 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.906 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -95.84 -67.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 72.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -38.25 50.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.1 -32.81 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.84 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.606 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -79.56 -15.88 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.722 HG11 ' CD2' ' A' ' 43' ' ' LEU . 11.9 t -84.6 -78.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.12 111.146 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.48 -35.4 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.858 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.753 0.311 . . . . 72.04 111.12 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -124.25 -4.42 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.837 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.44 HG23 ' NE2' ' A' ' 42' ' ' GLN . 5.1 mp -132.61 -64.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.067 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.735 HD13 ' OG ' ' A' ' 33' ' ' SER . 22.7 mt -97.01 157.69 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -77.16 161.23 73.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 62.22 110.882 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 64.31 112.329 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.836 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.29 -34.91 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 71.14 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 17.4 mt -76.99 -52.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 65.24 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.84 -22.76 49.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.14 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.79 -28.82 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 61.51 111.11 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -83.67 -27.11 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.095 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 70' ' ' PHE . 14.0 mt -69.7 -55.38 10.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.925 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -24.99 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.835 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.67 -52.12 57.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.866 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -134.33 39.69 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -51.94 -36.94 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.53 110.909 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.49 149.78 7.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 74.4 111.097 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.43 53.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 53.21 112.348 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.84 28.48 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.86 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.55 8.09 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.893 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -132.82 -174.94 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 71.43 110.887 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 161.16 29.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.43 110.876 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HB2' ' HE1' ' A' ' 105' ' ' MET . 53.9 Cg_endo -69.74 -19.54 36.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.244 . . . . 63.54 112.362 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -116.13 30.91 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 53.55 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -134.94 15.63 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.858 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -111.96 -18.17 12.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 63.31 110.89 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -76.03 -16.54 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.835 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -80.7 -37.07 31.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.4 mp -91.15 -31.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.157 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.735 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.8 t -87.8 -70.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 31.4 110.841 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.717 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.53 28.41 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 63.33 112.513 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HD21 ' A' ' 43' ' ' LEU . 41.9 mtp -63.61 -49.14 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 75.52 110.892 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 106' ' ' VAL . 84.2 p -53.81 -35.7 61.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.828 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -63.98 -15.29 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.938 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.78 156.18 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 54.33 110.893 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 t -74.25 163.7 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -16.48 57.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.859 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -89.54 -23.58 21.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 71.1 110.861 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.44 ' NE2' HG23 ' A' ' 5' ' ' ILE . 29.1 mt-30 -80.94 -35.51 32.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.64 -19.45 61.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 4.1 mtmt -71.4 -28.39 63.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.903 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.05 -47.72 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 63.41 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.2 mp -61.66 -28.21 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 60.24 111.129 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.68 1.09 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.846 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ILE . 21.8 mm -112.11 -7.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.41 111.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 69' ' ' ARG . 3.6 mp -96.73 -26.65 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.45 110.877 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.65 117.27 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 64.33 110.895 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.25 12.27 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.7 2.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.822 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 50.71 21.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.912 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -71.93 -16.79 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 65.13 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.59 -11.32 42.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.756 . . . . 43.42 112.522 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.34 164.41 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 70.02 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.1 mt -118.63 95.27 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 51.4 111.162 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.27 175.06 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.12 110.9 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -60.48 -33.95 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.76 -18.37 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.872 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -116.38 -15.82 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.867 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -76.43 -29.86 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.922 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -62.21 -28.38 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.3 110.899 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -76.57 22.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.942 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 7.2 t80 -53.79 -41.2 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 75.04 110.906 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -78.71 -11.45 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.04 110.915 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.62 4.93 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.642 ' CZ ' HD21 ' A' ' 50' ' ' LEU . 30.9 mtp180 -102.18 -42.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 70.11 110.843 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.635 ' O ' HD11 ' A' ' 15' ' ' LEU . 56.0 m-85 -90.87 -26.91 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -103.34 -29.77 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.894 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t 58.18 62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 32.42 110.838 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.72 -12.34 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.474 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 71' ' ' GLU . . . -59.79 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 72.04 111.111 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -75.87 176.16 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 63.03 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 1.7 m -104.41 151.65 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 70.44 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 79.1 mt -55.77 140.22 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.04 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.845 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -77.31 -175.06 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 65.41 111.153 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.95 -4.87 37.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.51 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.845 ' H ' HG23 ' A' ' 78' ' ' THR . 38.0 t -113.57 -6.61 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.872 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 78' ' ' THR . 48.0 mm-40 -95.28 -63.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -48.33 -47.87 36.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 62.23 111.126 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -49.48 -46.66 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.42 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 26' ' ' PRO . 26.9 m -55.62 -57.89 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 62.24 111.15 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CD1' HD11 ' A' ' 63' ' ' LEU . 11.3 t80 -52.98 -44.36 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 75.35 110.945 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.554 HD11 ' OD2' ' A' ' 90' ' ' ASP . 30.2 tp -63.25 -26.7 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 71.54 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.4 3.21 55.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 70.0 111.095 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.65 -17.15 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.12 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.6 -53.85 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.41 111.1 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.554 ' OD2' HD11 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -58.11 -67.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.929 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 54.56 15.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -125.05 -18.14 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 61.2 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.48 44.19 22.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 70.51 112.502 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -101.14 -28.56 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.837 0.351 . . . . 74.04 110.855 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.06 10.61 68.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 72.44 112.482 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.47 128.67 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 64.04 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.7 mm -83.17 146.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 64.23 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.55 175.58 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 75.25 112.468 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.43 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -80.05 2.26 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 75.11 111.092 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -108.76 -9.28 15.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.01 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.78 9.88 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -91.84 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.851 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.41 55.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 70.01 110.944 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.9 -31.96 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.888 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.57 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.5 ppp? -82.46 -11.96 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.88 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.683 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.9 t -88.06 -76.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 63.21 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.41 -35.09 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 54.41 110.863 -179.776 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.792 0.33 . . . . 70.5 111.105 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -120.79 -4.54 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.896 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.526 HG23 HE21 ' A' ' 42' ' ' GLN . 4.9 mp -141.27 -42.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 70.44 111.111 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.631 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.0 mt -129.17 159.43 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 160.83 79.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.714 0.768 . . . . 74.15 110.803 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 64.2 112.345 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 p -53.51 -46.29 70.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.55 110.871 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.31 -35.08 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.835 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.23 -52.49 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 65.24 111.146 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -23.19 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 54.32 111.062 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 -23.87 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.01 111.06 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -93.36 -27.36 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.08 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 70' ' ' PHE . 43.7 mt -69.51 -51.69 33.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 65.41 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -70.48 -25.91 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.1 -47.76 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.829 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.18 43.61 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.911 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.11 -32.19 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 61.33 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.43 3.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 63.51 111.111 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.54 48.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 71.53 112.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 t0 57.57 21.97 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.893 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.11 -36.86 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 70.4 110.885 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.48 166.62 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.86 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 151.23 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 73.42 110.886 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.584 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.76 -13.7 35.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 73.31 112.346 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 21.72 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.908 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.38 17.14 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.11 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -118.27 -16.55 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.877 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -86.19 -9.64 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.868 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.25 -33.27 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -92.76 -26.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.631 ' OG ' HD13 ' A' ' 6' ' ' LEU . 6.1 t -96.53 -69.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.843 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.85 31.8 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.452 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.541 ' O ' HD21 ' A' ' 43' ' ' LEU . 54.3 mtp -62.41 -51.17 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 72.03 110.862 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 106' ' ' VAL . 80.4 p -54.26 -33.74 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 41.11 110.848 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.94 -14.6 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.33 -163.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -120.69 160.05 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.39 -48.23 56.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.52 110.853 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -58.68 -35.16 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 53.2 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.526 HE21 HG23 ' A' ' 5' ' ' ILE . 13.8 mt-30 -73.31 -48.66 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.924 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 HG11 ' A' ' 106' ' ' VAL . 4.5 mt -62.6 -18.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 51.34 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -70.2 -25.6 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.918 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB2' HD11 ' A' ' 5' ' ' ILE . 27.5 mt-10 -61.05 -46.23 91.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.905 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.9 mt -53.63 -39.19 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.4 111.142 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -34.76 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.15 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 72.5 110.893 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mm -103.1 -18.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 65.53 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.83 -25.68 20.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.916 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.18 118.23 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.875 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -3.32 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.92 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -0.52 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.869 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.69 21.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.94 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -16.06 63.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.846 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.28 -19.91 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.41 112.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -132.18 169.79 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 71.42 110.854 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 mt -118.39 104.03 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.02 111.125 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.53 162.09 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.5 -30.19 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.26 -26.2 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 65.44 110.895 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -111.06 -14.74 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.89 -29.79 61.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.909 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -61.68 -31.58 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.94 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.15 16.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -54.97 -32.38 61.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 64.21 110.935 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 77' ' ' LEU . 1.9 mt -81.78 -9.27 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 75.24 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.8 5.33 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -104.82 -30.82 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.53 110.854 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.525 ' O ' HD11 ' A' ' 15' ' ' LEU . 51.6 m-85 -103.97 -15.58 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.1 tp10 -117.31 -28.43 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.21 110.905 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m 51.65 63.97 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 61.4 110.861 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.24 -16.0 1.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 54.35 112.448 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.14 -179.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 75.4 111.061 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm85 -80.95 179.71 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.36 150.59 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.134 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 67' ' ' LEU . 72.9 mt -55.6 135.79 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.828 HG23 ' H ' ' A' ' 80' ' ' SER . 10.3 t -76.64 -178.51 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.34 111.115 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -10.83 55.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.101 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.828 ' H ' HG23 ' A' ' 78' ' ' THR . 26.1 t -108.74 -4.57 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 62.24 110.869 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.741 ' HG3' HG22 ' A' ' 78' ' ' THR . 3.8 mm-40 -99.95 -59.46 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 63.01 111.115 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -54.65 -46.68 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.584 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -58.06 -54.56 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.4 111.136 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.74 -47.11 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.903 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 21.8 tp -64.07 -38.02 89.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.911 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.34 -1.64 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.087 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.96 -18.21 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 63.3 111.099 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.89 -56.01 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 63.14 111.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 15.8 t70 -60.33 -71.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 44.13 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 46.54 24.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 94' ' ' ASP . 22.4 p30 -121.78 -11.99 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.901 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.83 54.29 3.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 75.12 112.512 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.476 ' CG ' ' OD1' ' A' ' 92' ' ' ASP . 66.4 m-20 -125.43 -15.49 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 71.44 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 63.75 12.94 49.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 71.23 112.484 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 136.36 26.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 64.34 110.889 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 89' ' ' ALA . 34.2 mm -87.4 147.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 53.44 111.12 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.83 -178.78 15.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.23 112.477 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.86 7.46 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 60.32 111.088 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -119.66 -5.82 10.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -129.21 3.01 5.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -86.51 -61.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.04 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -37.54 48.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -30.35 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.41 110.893 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.509 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -83.41 -16.51 45.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.944 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.794 HG11 HD22 ' A' ' 43' ' ' LEU . 13.9 t -83.14 -78.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.13 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -63.34 -35.47 80.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 53.54 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 53.35 110.881 -179.793 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.766 0.317 . . . . 61.24 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 5' ' ' ILE . 2.6 t70 -121.22 -4.11 9.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 64.15 110.882 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.537 HG23 HE21 ' A' ' 42' ' ' GLN . 5.3 mp -139.96 -47.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 64.54 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 33' ' ' SER . 15.8 mt -125.81 159.05 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.5 160.89 78.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.704 0.764 . . . . 73.25 110.845 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 74.24 112.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 p -53.85 -46.33 71.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 54.34 110.898 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -59.47 -35.11 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 54.33 110.855 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -75.95 -52.96 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.146 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB1' HH12 ' A' ' 16' ' ' ARG . . . -56.54 -22.68 34.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 55.1 111.136 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.67 35.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 70.14 111.093 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.24 -27.21 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.113 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 71' ' ' GLU . 35.1 mt -69.57 -51.99 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.507 HH12 ' HB1' ' A' ' 12' ' ' ALA . 52.7 mtt85 -72.53 -26.11 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.887 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.03 -49.37 71.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 75.01 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.0 m -131.36 38.01 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.72 -36.52 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.929 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.85 153.3 4.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 61.24 111.135 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 149.82 67.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 71.04 112.348 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 43.01 34.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 m -113.29 -25.24 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.23 110.853 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.56 171.17 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 162.21 59.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 73.35 110.888 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.573 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.79 -10.71 29.19 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 74.04 112.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -118.7 2.06 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.911 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 32' ' ' ILE . 31.0 mmtp -102.9 7.34 39.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.891 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 9.3 t80 -106.9 -28.45 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.847 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.76 -8.06 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.883 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -88.36 -39.97 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.0 mp -86.7 -24.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.106 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.653 ' HB2' HD13 ' A' ' 6' ' ' LEU . 83.6 p -96.89 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.842 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.01 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 54.44 112.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.526 ' O ' HD21 ' A' ' 43' ' ' LEU . 35.3 mtp -72.98 -51.19 19.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.12 110.883 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.618 ' HA ' HG12 ' A' ' 106' ' ' VAL . 51.9 p -54.02 -33.24 56.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 52.33 110.885 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.31 -14.86 61.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 71.12 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -87.31 -164.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.864 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -120.66 155.83 33.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.44 -31.12 5.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.866 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -70.9 -43.77 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.929 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.537 HE21 HG23 ' A' ' 5' ' ' ILE . 10.3 mt-30 -71.78 -33.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.14 110.887 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CD2' HG11 ' A' ' 106' ' ' VAL . 11.2 mt -72.39 -17.07 61.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.907 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -72.22 -32.69 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 63.42 110.902 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -55.04 -48.0 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.2 mt -53.47 -43.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.31 111.12 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -38.33 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 65.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -14.01 60.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.895 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.417 HG22 ' HE ' ' A' ' 69' ' ' ARG . 26.0 mm -99.6 -14.56 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.127 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.87 -25.07 19.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.05 110.923 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -70.76 99.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 7.77 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.843 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.46 -12.74 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.85 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 59.85 16.16 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -28.45 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.879 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.6 -19.03 5.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 62.13 112.529 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.23 171.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.44 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -115.43 77.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.52 111.161 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.94 168.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.847 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.55 -28.95 70.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.41 -22.52 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.6 -29.84 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.886 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.19 -28.99 67.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 53.41 110.946 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -60.26 -25.84 65.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.897 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD1' HG12 ' A' ' 76' ' ' VAL . 90.7 m-85 -95.66 48.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.25 110.921 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -83.18 -24.35 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 74.43 110.913 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.2 mt -88.29 -3.5 58.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 53.44 110.928 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 0.38 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 65.31 110.933 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HE ' HG22 ' A' ' 49' ' ' ILE . 5.3 mmm180 -101.03 -30.86 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.862 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.425 ' C ' HD11 ' A' ' 15' ' ' LEU . 74.7 m-85 -99.23 -25.8 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.894 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.57 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -107.31 -34.76 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.54 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t 62.32 60.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.873 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.84 -16.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 42.42 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -176.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 51.53 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -83.85 -179.17 7.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.41 110.85 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.4 m -96.26 -167.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.42 111.156 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 82' ' ' THR . 60.0 mt -104.46 157.3 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.87 HG23 ' H ' ' A' ' 80' ' ' SER . 13.1 t -104.88 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.51 111.179 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -13.19 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 61.41 111.124 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.87 ' H ' HG23 ' A' ' 78' ' ' THR . 41.5 t -101.49 -2.4 30.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 70.02 110.856 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.9 mt-10 -113.58 -63.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.34 110.857 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.68 -48.22 63.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.106 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -56.79 -45.92 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 74.01 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 26' ' ' PRO . 36.7 m -60.21 -56.09 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.23 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.42 -48.63 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.859 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.542 ' HA ' HD11 ' A' ' 97' ' ' ILE . 2.2 tp -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 62.34 110.941 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.61 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 41.31 111.098 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB3' ' HE1' ' A' ' 105' ' ' MET . . . -111.97 -15.93 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 61.35 111.138 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -119.09 -55.55 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 8.4 t70 -59.96 -70.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.855 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 55.89 13.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.835 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 5.7 m-20 -104.67 -18.91 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 61.35 110.921 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.97 24.2 55.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 74.43 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.39 -15.69 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 71.02 110.904 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.14 -5.25 55.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 63.24 112.483 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -117.17 133.68 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 75.11 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.664 HD12 ' HB3' ' A' ' 89' ' ' ALA . 21.2 mm -87.29 144.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.5 111.095 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -117.7 156.85 15.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.464 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.36 -7.59 32.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 43.5 111.085 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 -0.77 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -125.43 -3.51 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.915 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.44 -57.84 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.52 110.861 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -36.52 48.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -56.09 -28.13 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 88' ' ' ALA . 1.5 ppp? -86.52 -17.92 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.778 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -80.79 -78.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 32.51 111.117 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.17 -35.52 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 61.02 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.823 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.785 0.326 . . . . 71.34 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.36 -11.84 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.848 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.689 HG23 HE21 ' A' ' 42' ' ' GLN . 5.2 mp -128.06 -61.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 60.43 111.168 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.712 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.9 mt -97.33 155.77 16.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.919 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.44 159.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 33.51 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -49.56 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 71.45 112.356 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -57.2 -31.55 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.831 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -73.12 -35.2 66.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 63.44 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.48 -51.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.089 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.76 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 64.31 111.12 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.66 -26.02 45.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 62.3 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -86.71 -44.49 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 52.44 111.087 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 71' ' ' GLU . 15.5 mt -59.28 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 55.43 110.926 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -71.51 -31.72 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.827 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.14 -44.16 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.937 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 m -137.25 42.69 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.12 110.922 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.52 -35.9 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.906 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 145.53 17.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.693 . . . . 64.42 111.152 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.88 68.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.274 . . . . 62.33 112.345 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.6 t0 61.66 17.24 8.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 55.5 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -126.83 1.5 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.17 165.93 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.39 147.73 7.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.66 0.743 . . . . 45.3 110.845 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.542 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.73 -32.84 17.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 51.51 112.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 24.62 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 62.24 110.937 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -135.16 18.59 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 63.34 110.895 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.79 -3.25 11.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.02 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -98.86 -12.29 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.85 -28.8 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.54 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.9 mp -99.42 -30.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.32 111.111 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.712 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.5 t -89.09 -68.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.582 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.65 39.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 72.43 112.46 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HD11 ' A' ' 6' ' ' LEU . 42.7 mtp -72.8 -52.53 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 60.31 110.886 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' HG12 ' A' ' 106' ' ' VAL . 17.2 p -54.03 -33.76 58.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.04 -16.87 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 65.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -86.97 -164.53 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 63.54 110.873 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -121.25 159.48 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 51.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.05 -28.87 41.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 51.13 110.811 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.2 m -77.32 -28.61 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 61.35 110.844 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.689 HE21 HG23 ' A' ' 5' ' ' ILE . 12.7 mt-30 -85.56 -34.51 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.37 -40.89 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -19.57 40.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 75.24 110.897 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.66 -45.72 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 51.33 110.925 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -49.78 -34.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 73.14 111.108 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -40.49 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -14.41 51.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.895 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 49' ' ' ILE . 34.7 mm -99.28 -11.05 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.01 111.108 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -96.66 -26.93 15.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 70.13 110.894 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.47 119.57 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 18.49 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.53 6.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.913 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 47.95 23.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.2 p -71.12 -14.67 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 61.23 110.87 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.38 -10.36 56.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 54.32 112.447 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -142.67 167.66 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.01 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 mt -118.05 102.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.129 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.57 164.44 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.922 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.34 -30.16 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.74 -23.31 64.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -112.94 -17.86 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.65 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.07 -31.22 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.916 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.8 ptpt -63.28 -27.11 69.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.906 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CE1' HG12 ' A' ' 76' ' ' VAL . 14.2 m-85 -92.93 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.93 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . 34.2 t80 -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.904 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 77' ' ' LEU . 1.4 mt -84.51 -8.31 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.915 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.2 -1.05 54.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -104.22 -29.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CB ' HD11 ' A' ' 15' ' ' LEU . 16.0 m-85 -100.04 -15.0 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 tp10 -123.18 -34.92 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 73.43 110.881 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m 61.47 69.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 145.17 -12.91 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 43.44 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.79 -177.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 71.43 111.083 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.73 -178.46 6.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.02 110.866 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.0 m -98.34 -169.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.4 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 67' ' ' LEU . 35.7 mt -104.58 133.65 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -77.18 -178.12 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 44.44 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.71 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.41 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 11.0 t -102.78 -9.1 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.827 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.651 ' HG3' HG22 ' A' ' 78' ' ' THR . 42.2 mt-10 -99.43 -61.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.53 110.922 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.76 -49.35 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.157 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -51.49 -45.96 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.907 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.7 m -55.69 -54.11 48.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.134 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.04 -50.68 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 16.5 tp -63.8 -35.78 81.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 75.23 110.928 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.9 4.65 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.19 -15.7 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 73.2 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.75 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.98 -55.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.22 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.48 -70.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.912 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 56.68 15.24 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.85 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.4 -10.57 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.1 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 60.04 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.05 -39.22 23.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 70.24 110.871 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.82 14.89 60.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 24.43 112.445 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 120.24 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 70.22 110.844 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.572 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.5 mm -70.75 149.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 55.35 111.12 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.85 -157.22 8.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 73.33 112.504 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.52 5.24 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 72.03 111.091 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.77 -8.62 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 55.41 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.0 1.81 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -87.71 -68.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.4 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -37.12 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.904 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.14 -31.61 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 61.44 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -82.19 -15.62 52.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 54.31 110.902 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 43' ' ' LEU . 15.5 t -83.27 -78.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.1 111.141 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.11 -35.11 76.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.855 -179.776 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.771 0.319 . . . . 62.23 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.49 -10.46 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.846 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.57 HG23 HE21 ' A' ' 42' ' ' GLN . 4.7 mp -120.7 -38.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 64.2 111.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.669 HD13 ' OG ' ' A' ' 33' ' ' SER . 6.7 mt -136.55 158.35 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.933 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.482 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.21 159.24 80.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 62.01 110.895 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -30.5 22.09 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 62.42 112.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -70.35 -47.18 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.877 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.14 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.858 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 7' ' ' SER . 18.7 mt -80.41 -51.99 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.62 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.066 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.17 59.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -84.91 -45.8 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 62.41 111.084 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 ' C ' ' A' ' 70' ' ' PHE . 14.0 mt -56.82 -49.69 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.883 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -31.85 67.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.842 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.28 -40.89 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.59 43.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.35 -35.15 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.907 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.86 152.69 5.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 53.34 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.84 49.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 73.31 112.351 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.4 t0 52.06 28.47 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.02 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -115.74 1.15 13.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.88 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -124.64 -177.12 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.55 161.21 32.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.698 0.761 . . . . 61.15 110.82 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.736 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.88 -21.76 32.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 72.44 112.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 33.22 5.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.3 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.48 17.54 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.886 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.13 -9.37 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.909 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.85 -16.84 29.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 62.22 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.33 -38.16 27.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.03 -30.87 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 60.44 111.121 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.669 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.9 t -90.94 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.903 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.18 41.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 71.13 112.485 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.58 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.9 mtp -73.51 -50.54 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 61.33 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -33.67 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.53 -19.37 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.01 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -85.46 -160.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.891 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -120.32 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.877 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -6.0 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.86 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -99.93 -15.12 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 61.52 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.57 HE21 HG23 ' A' ' 5' ' ' ILE . 11.1 mt-30 -97.57 -36.2 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.932 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.889 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.76 -21.55 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -70.35 -26.1 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.898 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 50' ' ' LEU . 2.7 mp -54.61 -39.32 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.01 111.117 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -38.43 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -14.08 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.14 110.83 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG22 HH21 ' A' ' 69' ' ' ARG . 23.7 mm -98.97 -14.51 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.098 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.16 -25.58 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 51.44 110.963 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -67.36 93.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 63.53 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.87 6.25 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.11 -13.53 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.51 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 60.0 16.29 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 51.23 110.897 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -37.89 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.881 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.21 -12.43 3.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 72.31 112.454 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.27 168.72 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 75.13 110.878 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 50' ' ' LEU . 32.5 mt -115.76 77.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 54.31 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 175.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -65.09 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.859 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.01 -21.34 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 61.3 110.818 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.6 -29.32 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.668 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 52.11 110.902 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.9 ptpt -48.71 -28.98 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.415 ' CD1' HG12 ' A' ' 76' ' ' VAL . 54.9 m-85 -93.4 44.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 74.54 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 67' ' ' LEU . 35.6 t80 -79.34 -30.92 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 63.2 110.864 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.451 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.3 mt -82.83 -4.07 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.3 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 2.03 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.05 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.45 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -103.5 -31.14 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 51.12 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' C ' HD11 ' A' ' 15' ' ' LEU . 32.7 m-85 -97.28 -22.52 16.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.17 -34.91 5.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 64.38 60.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 32.23 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.72 -15.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 53.32 112.477 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.88 -178.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.12 111.076 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -77.71 -179.0 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.912 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.7 m -100.48 -166.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 60.41 111.169 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.553 ' HB2' HG23 ' A' ' 82' ' ' THR . 44.2 mt -104.11 137.19 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.896 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 10.6 t -76.4 -178.7 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 63.3 111.153 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.36 -9.15 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.145 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 13.6 t -105.31 -8.53 18.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.814 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 78' ' ' THR . 72.9 mm-40 -99.14 -60.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.854 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.41 -49.02 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.41 111.128 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.736 HG22 ' HG3' ' A' ' 26' ' ' PRO . 30.6 m -57.02 -56.9 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 55.24 111.129 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -51.03 -45.83 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 97' ' ' ILE . 5.9 tp -66.78 -36.2 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.939 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.29 3.3 15.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 51.31 111.097 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.59 -15.71 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.12 111.146 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.88 -54.93 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.41 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 29.8 t70 -58.65 -71.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.897 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 59.76 9.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.04 110.845 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.5 m-20 -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.52 110.896 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.437 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.8 15.65 74.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.49 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -83.58 -33.04 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 73.42 110.853 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 96.87 -8.66 65.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 74.52 112.515 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 132.63 55.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 62.31 110.856 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 22.4 mm -79.42 143.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.138 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.51 157.37 15.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 61.11 112.516 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.13 -4.53 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 42.44 111.12 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -101.84 -20.29 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.53 110.926 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -113.78 -3.94 13.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.894 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.455 ' HD1' HG21 ' A' ' 97' ' ' ILE . 79.1 t80 -72.35 -68.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.906 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -34.58 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.97 -28.57 57.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.908 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.7 ppp? -83.94 -18.02 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.889 HG11 HD22 ' A' ' 43' ' ' LEU . 16.6 t -79.71 -77.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.44 111.143 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.84 -35.15 79.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.88 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.887 -179.838 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.792 0.33 . . . . 74.14 111.125 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.25 -4.41 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 63.13 110.83 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.5 -39.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 65.25 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.661 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.9 mt -130.8 158.53 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.26 160.44 77.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 73.12 110.853 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.723 2.282 . . . . 55.41 112.335 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 p -53.15 -46.53 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 74.23 110.839 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.81 -34.81 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.922 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.53 -51.02 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.149 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -24.54 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.11 111.098 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.52 -22.61 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.21 111.101 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.697 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -92.88 -45.39 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 71.11 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD11 ' C ' ' A' ' 70' ' ' PHE . 36.0 mt -54.83 -50.85 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -71.4 -31.87 67.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.846 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.62 -39.91 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 m -139.71 45.46 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.848 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.48 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.58 147.03 8.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 53.41 111.058 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 141.21 44.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 72.4 112.372 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 60.45 18.45 8.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 64.3 110.853 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.15 18.11 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.868 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.89 162.91 27.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.05 160.7 61.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 70.11 110.85 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.74 -15.15 37.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 71.45 112.372 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 12.55 24.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.875 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -105.88 15.79 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 63.21 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.37 -3.3 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.871 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -102.93 -11.08 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 63.43 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.61 -30.07 15.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.908 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.697 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -98.47 -26.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.123 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.661 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.6 t -96.22 -69.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.04 30.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 41.34 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.521 ' O ' HD21 ' A' ' 43' ' ' LEU . 60.4 mtp -60.41 -53.53 56.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 73.11 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.632 ' HA ' HG12 ' A' ' 106' ' ' VAL . 6.6 m -53.98 -33.56 57.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 70.43 110.875 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -63.99 -15.94 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 74.15 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -85.84 -161.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.837 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.28 -30.03 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.857 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -74.51 -36.98 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.01 110.876 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -75.62 -31.1 59.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 61.33 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.754 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.7 mt -76.89 -14.66 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 62.04 110.919 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -69.88 -42.45 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 63.12 110.85 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -49.85 -47.12 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 63.24 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.8 mt -51.03 -45.85 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 64.02 111.117 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -36.85 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.904 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.868 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.414 HG22 ' HE ' ' A' ' 69' ' ' ARG . 21.9 mm -99.45 -12.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 64.25 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.13 -24.86 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.64 94.92 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 72.54 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 7.21 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 60.31 110.876 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -122.86 -13.78 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.86 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 60.97 15.6 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.919 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -37.08 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.845 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.52 -14.31 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 24.45 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -132.86 170.8 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 74.31 110.904 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.5 83.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 71.15 111.106 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 158.31 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.52 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 86' ' ' LEU . 21.3 mt-10 -53.59 -26.54 22.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.869 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.85 -25.95 67.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 61.31 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -109.31 -27.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.928 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.48 -27.96 66.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 64.41 110.966 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -63.06 -13.05 31.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 61.54 110.89 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.23 40.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 64.13 110.912 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -81.47 -19.98 41.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.2 110.842 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 77' ' ' LEU . 5.1 mt -93.25 -5.55 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.14 110.928 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 3.18 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.895 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -102.52 -35.56 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 15' ' ' LEU . 50.4 m-85 -95.75 -25.44 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.908 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.5 tt0 -107.96 -35.99 6.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t 61.03 63.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.01 -15.69 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 41.41 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 179.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 74.24 111.084 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -79.52 179.43 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.91 150.85 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.173 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 67' ' ' LEU . 45.0 mt -56.33 132.3 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.85 -178.23 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 71.21 111.14 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.84 -10.52 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.15 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -106.57 -10.22 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.04 110.804 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HG2' HG22 ' A' ' 78' ' ' THR . 28.9 mm-40 -94.76 -61.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.4 -47.89 62.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 64.54 111.126 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -49.34 -45.93 46.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.03 110.957 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -61.72 -60.78 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.03 111.121 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -50.99 -37.88 47.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 54.42 110.889 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HA2' ' A' ' 95' ' ' GLY . 60.8 tp -73.95 -35.58 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.897 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.72 21.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.11 111.071 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.94 -16.31 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 51.13 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.66 -55.54 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.02 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 28.3 t70 -58.98 -73.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 63.53 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 59.58 10.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.875 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.484 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.1 m-20 -106.11 -15.29 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.834 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.432 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.73 43.14 29.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 63.4 112.48 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -114.7 -31.73 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 73.3 110.85 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 97.17 -8.57 64.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 42.25 112.506 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.31 134.68 55.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 75.01 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 89' ' ' ALA . 32.5 mm -86.91 143.38 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.24 111.156 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.91 174.33 15.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.24 112.521 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.4 2.75 30.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 70.24 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -112.0 -10.5 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 72.54 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 97' ' ' ILE . 3.8 pt-20 -123.58 4.41 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.89 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -86.97 -67.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.43 110.869 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -36.24 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.878 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -32.58 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.89 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.8 ppp? -79.5 -16.62 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 72.14 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.754 HG11 ' CD2' ' A' ' 43' ' ' LEU . 17.8 t -81.99 -78.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.24 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -35.68 81.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.897 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.01 110.848 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 74.25 111.128 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -122.42 -6.69 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 73.35 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.94 -42.93 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.2 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.605 HD21 ' C ' ' A' ' 34' ' ' GLY . 19.8 mt -126.44 157.85 37.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.963 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.56 161.4 74.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 60.13 110.846 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.28 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 64.21 112.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -53.15 -46.38 68.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 53.3 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -58.02 -35.31 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 75.02 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -77.16 -51.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.45 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.0 70.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.094 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.96 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.54 111.077 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -83.31 -44.57 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 55.43 111.115 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' C ' ' A' ' 70' ' ' PHE . 17.3 mt -56.44 -46.69 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.03 110.905 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.76 -31.74 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 72.34 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -52.32 -39.57 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.5 m -138.69 39.43 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.05 110.897 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.81 -37.36 59.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.916 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -53.73 155.32 5.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.702 . . . . 63.14 111.087 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.69 150.46 68.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 62.31 112.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.94 33.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 65.51 110.868 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 p -112.13 -13.82 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 63.41 110.826 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 27.9 p90 -114.47 -174.98 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 72.33 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.84 161.72 28.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 75.32 110.898 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.532 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.83 -15.27 36.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 63.34 112.32 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.14 24.0 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.875 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -132.16 9.72 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.912 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 -32.08 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.886 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -69.25 -11.27 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.01 110.905 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -81.48 -40.31 23.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.897 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.38 -30.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.21 111.116 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.507 ' HB2' HD13 ' A' ' 6' ' ' LEU . 80.5 p -85.44 -70.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.869 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.605 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.56 39.22 0.51 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 63.32 112.509 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.532 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.3 mtp -74.96 -49.22 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 54.45 110.863 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG12 ' A' ' 106' ' ' VAL . 56.9 p -53.32 -32.87 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.03 110.857 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.66 -15.78 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 61.5 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.63 164.2 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -73.9 -177.8 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 52.55 110.847 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.17 1.04 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 64.52 110.818 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 m -107.0 -30.95 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 64.44 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -73.31 -25.15 60.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.818 HD22 HG11 ' A' ' 106' ' ' VAL . 5.0 mt -80.64 -19.35 45.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -71.64 -32.38 67.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.858 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.08 -48.5 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.852 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -68.19 -36.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 71.51 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.67 -39.76 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.903 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.33 52.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.597 HG22 HH21 ' A' ' 69' ' ' ARG . 40.0 mm -96.28 -13.69 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.32 111.141 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 -25.02 22.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.901 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -64.29 94.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 7.85 26.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.866 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.49 -12.24 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 51.01 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 59.21 16.64 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -34.87 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 51.13 110.86 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.19 -15.1 4.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 50.14 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -132.11 171.1 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 74.13 110.874 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 33.1 mt -115.87 79.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 70.11 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -54.13 170.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.878 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.9 -30.99 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -23.62 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 64.44 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.24 -27.71 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 73.01 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.15 -30.7 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.916 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.92 -30.93 70.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 64.31 110.865 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.8 16.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 64.25 110.906 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.46 -30.81 61.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 77' ' ' LEU . 2.2 mt -82.95 -9.64 59.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 44.03 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.13 8.59 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.597 HH21 HG22 ' A' ' 49' ' ' ILE . 5.9 mmm180 -106.14 -31.1 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.468 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.5 m-85 -96.16 -27.85 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.877 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.2 tp10 -109.87 -32.99 6.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.884 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 64.15 59.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.858 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.32 -18.57 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 54.22 112.513 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.11 -179.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 71.13 111.119 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -78.27 175.99 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.889 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 2.0 m -99.1 152.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.21 111.1 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 67' ' ' LEU . 81.4 mt -55.63 138.88 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.11 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.8 t -77.16 -177.12 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.21 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.63 -7.97 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 52.43 111.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 46.9 t -111.75 -6.02 14.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.832 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.538 ' CG ' HG22 ' A' ' 78' ' ' THR . 10.5 mm-40 -95.75 -61.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.87 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.47 -47.73 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 53.04 111.114 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -49.95 -54.57 18.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 61.1 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.532 HG22 ' HG3' ' A' ' 26' ' ' PRO . 24.6 m -51.55 -55.67 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 63.43 111.184 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CD1' HD11 ' A' ' 63' ' ' LEU . 8.1 t80 -51.71 -44.22 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.23 110.883 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.7 tp -68.04 -25.01 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.91 0.08 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.3 111.132 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 -18.12 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.54 111.089 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.71 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -128.85 -12.22 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 62.21 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.594 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.9 t70 -133.18 24.37 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 34.25 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.95 -14.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.84 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 10.1 p30 -61.69 -27.67 68.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.41 43.32 4.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 73.52 112.48 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -104.32 -30.54 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 75.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.22 15.83 58.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 71.31 112.479 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -157.46 135.11 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 62.31 110.935 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.71 HD12 ' HB3' ' A' ' 89' ' ' ALA . 43.9 mm -80.48 147.46 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 64.13 111.133 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.31 175.47 17.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 43.13 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.34 7.01 17.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 75.13 111.126 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -117.59 -12.69 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 72.42 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.43 -2.57 9.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 70.2 110.896 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -77.02 -65.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 61.53 110.83 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -36.13 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 64.41 110.923 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.11 -27.45 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 65.13 110.909 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -87.5 -16.76 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.857 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.818 HG11 HD22 ' A' ' 43' ' ' LEU . 16.7 t -81.76 -77.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.5 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -35.48 80.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.4 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 44.51 110.857 -179.812 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.766 0.317 . . . . 63.14 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.25 -5.6 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.855 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.09 -63.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.154 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.76 HD13 ' OG ' ' A' ' 33' ' ' SER . 38.4 mt -97.95 156.78 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.921 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.69 159.94 73.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.708 0.766 . . . . 74.02 110.807 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 32.41 112.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -53.91 -48.5 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.889 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.47 -34.84 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 63.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 25.4 mt -74.65 -52.82 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.12 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.03 -23.2 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 60.44 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.96 -24.64 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.41 111.079 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.73 -24.14 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.106 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 70' ' ' PHE . 25.8 mt -69.73 -56.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.873 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -23.57 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.38 -51.68 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 63.51 110.907 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 m -133.24 43.01 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.911 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.07 -37.9 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.946 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.27 150.44 8.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 64.42 111.056 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.57 60.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 72.14 112.331 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 61.4 17.38 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 -15.41 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.864 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -92.69 166.72 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 65.23 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.41 156.65 31.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 70.12 110.854 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.1 Cg_endo -69.82 -16.25 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.22 . . . . 73.42 112.35 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 30.85 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 55.33 110.935 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -135.33 17.63 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -117.15 -22.6 8.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -78.18 -14.97 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.891 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -85.06 -34.65 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 61.41 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 2.9 mp -92.83 -29.57 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 71.34 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -94.28 -67.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.87 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.654 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.87 45.79 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 63.32 112.491 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.735 ' HG2' HD11 ' A' ' 6' ' ' LEU . 32.9 mtp -73.64 -49.84 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 51.53 110.893 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.483 ' HA ' HG12 ' A' ' 106' ' ' VAL . 86.7 p -53.25 -35.24 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 61.4 110.852 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -62.36 -19.23 63.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -90.98 150.4 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.887 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -73.91 160.83 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.657 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.03 -25.77 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -74.79 -36.81 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 52.52 110.873 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.19 -33.35 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.13 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.717 ' CD2' HG11 ' A' ' 106' ' ' VAL . 2.8 mt -76.24 -14.08 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 64.3 110.957 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -70.53 -42.53 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.865 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -48.42 -45.63 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 64.23 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.1 mt -48.95 -45.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.087 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 2.0 t80 -55.29 -39.15 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.866 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -9.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.877 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.0 mm -101.79 -19.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.145 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -89.41 -26.28 21.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 62.42 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.19 121.6 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -130.0 3.15 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.875 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 51.36 22.2 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.933 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -60.74 -18.16 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.15 110.838 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.29 -16.27 12.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 54.43 112.519 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -144.23 144.88 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.352 . . . . 74.21 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mt -91.76 103.67 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.128 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.44 164.23 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.826 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -53.53 -29.68 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.851 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.31 -23.74 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.836 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.72 -14.89 13.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -76.61 -29.09 56.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 72.03 110.929 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.05 -12.69 41.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.888 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -102.97 47.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 62.43 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 64.5 t80 -87.72 -21.17 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 77' ' ' LEU . 3.1 mt -97.46 -2.22 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.69 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.941 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -110.35 -42.44 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.87 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.588 ' O ' HD11 ' A' ' 15' ' ' LEU . 62.5 m-85 -85.3 -24.12 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -114.49 -25.13 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p 47.18 77.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.893 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.17 -10.19 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 74.3 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -175.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 63.52 111.136 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -84.94 175.55 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 73.33 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -98.63 150.84 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 61.05 111.078 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HB2' HG23 ' A' ' 82' ' ' THR . 38.2 mt -55.88 131.47 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 72.1 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.794 HG23 ' H ' ' A' ' 80' ' ' SER . 10.0 t -76.47 -179.06 4.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.149 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -12.18 50.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.13 111.113 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.794 ' H ' HG23 ' A' ' 78' ' ' THR . 8.7 t -103.78 -11.39 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 54.4 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.69 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.7 mm-40 -94.74 -61.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 51.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.74 -48.46 69.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 42.0 111.14 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -50.97 -46.28 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.856 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.53 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.0 m -59.27 -58.61 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 51.14 111.093 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -51.14 -49.21 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 90' ' ' ASP . 5.8 tp -63.82 -37.36 87.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.27 0.01 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.082 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.73 -16.03 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.12 111.107 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.68 -55.75 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 72.23 111.094 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 86' ' ' LEU . 30.4 t70 -60.09 -72.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.884 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.43 11.03 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.839 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.502 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.8 m-20 -105.04 -20.5 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.867 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.09 25.32 49.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 55.23 112.49 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.89 -21.46 15.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 75.22 110.855 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.15 24.27 69.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 72.13 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 125.94 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 74.41 110.918 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.3 mm -84.59 149.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.112 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.88 -178.34 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 72.25 112.478 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.18 7.24 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 63.24 111.115 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -117.92 -10.05 10.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.87 -6.8 9.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -74.43 -67.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -36.19 33.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.918 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.21 -29.07 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.448 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -85.19 -17.47 37.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -81.42 -78.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 73.01 111.143 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.17 -35.32 80.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.04 110.948 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 44.53 110.86 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.785 0.326 . . . . 74.21 111.152 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -130.52 0.55 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.835 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.25 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 60.33 111.122 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.0 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.938 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.06 161.08 76.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 54.45 110.858 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 71.42 112.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -46.42 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 54.43 110.876 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -58.6 -34.05 70.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.8 mt -78.0 -52.32 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 63.02 111.087 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.16 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 60.2 111.115 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -28.12 60.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.089 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.09 -26.56 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.35 111.111 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 70' ' ' PHE . 20.0 mt -71.04 -54.86 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -71.19 -11.11 60.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.97 -40.27 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.88 38.12 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -60.31 -35.15 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.23 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.06 150.1 11.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 62.35 111.128 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.98 67.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 42.21 112.333 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.72 34.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 61.25 110.887 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -123.98 8.28 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.4 110.842 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.66 178.99 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.38 158.24 58.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 72.32 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.674 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.74 -11.16 30.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 72.15 112.393 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 33.11 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -134.09 20.06 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.912 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -2.6 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -94.68 -15.2 24.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.03 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -84.7 -33.63 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.6 mp -92.5 -31.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 65.42 111.171 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 13.4 t -90.12 -70.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 75.33 110.86 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.653 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 126.5 31.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 54.43 112.486 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.0 mtp -64.89 -49.37 70.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 71.03 110.911 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 106' ' ' VAL . 60.2 p -53.04 -35.2 59.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 55.22 110.846 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -63.49 -19.74 65.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 71.21 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -89.65 152.72 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 51.53 110.882 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -74.4 163.29 27.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.865 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.97 -19.17 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 63.5 110.86 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.9 p -82.88 -22.13 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.42 110.883 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -92.03 -28.05 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.736 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -77.42 -20.58 54.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.93 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -74.11 -23.52 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.08 -46.63 89.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.52 -38.02 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.122 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -37.89 68.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.11 110.869 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -12.55 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.655 HG22 HH21 ' A' ' 69' ' ' ARG . 16.6 mm -98.69 -12.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.169 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -25.6 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.927 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -69.45 118.77 12.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 65.23 110.884 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.66 12.93 24.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.9 0.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.873 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 51.78 20.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.952 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.31 -24.67 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.33 110.864 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.21 -16.27 10.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.489 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.91 169.49 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 75.32 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.3 mt -117.04 84.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 70.01 111.141 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.85 173.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.03 -32.59 73.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.858 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -61.23 -19.62 61.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.44 -19.23 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.04 110.904 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.29 -32.13 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.965 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.58 -31.57 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 55.24 110.855 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.88 16.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 74.33 110.915 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.9 -31.96 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 77' ' ' LEU . 1.6 mt -82.4 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.953 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.48 7.09 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.41 110.905 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.655 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -104.54 -30.4 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' O ' HD11 ' A' ' 15' ' ' LEU . 30.8 m-85 -99.28 -22.55 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 15' ' ' LEU . 3.1 tm-20 -113.65 -33.57 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.834 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m 62.68 57.86 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 -21.22 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 50.13 112.455 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 75.22 111.108 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -79.04 179.75 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.72 150.12 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 67' ' ' LEU . 62.4 mt -56.23 137.01 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.917 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.865 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.63 -174.82 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.146 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.69 -5.21 36.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 60.54 111.042 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.865 ' H ' HG23 ' A' ' 78' ' ' THR . 32.7 t -114.43 -3.45 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.837 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.597 ' HG3' HG22 ' A' ' 78' ' ' THR . 39.8 mt-10 -98.38 -61.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.55 -48.85 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.104 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -50.38 -48.04 56.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 26' ' ' PRO . 15.8 m -54.89 -57.71 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 64.22 111.101 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -50.73 -47.65 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 8.9 tp -64.03 -36.33 83.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 71.35 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.48 3.36 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.33 111.116 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 -15.16 10.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -119.65 -57.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.138 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.793 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -62.44 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.858 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 68.13 7.41 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.54 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 -14.81 15.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.864 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.48 20.89 73.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 71.25 112.473 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.34 -37.7 51.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 71.15 110.849 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.46 21.52 44.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 63.34 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.59 116.95 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.3 110.926 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.793 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.1 mm -63.14 151.38 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 111.134 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.48 7.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 72.12 112.511 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.6 3.34 39.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 60.41 111.099 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -117.95 -5.29 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 64.24 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.576 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 7.2 pt-20 -126.9 2.23 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -91.14 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -37.71 47.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 52.31 110.93 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -56.09 -31.35 63.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.764 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -82.1 -16.61 49.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.888 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.736 HG11 HD22 ' A' ' 43' ' ' LEU . 15.4 t -82.23 -78.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.43 111.128 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.84 -35.38 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 43.34 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.847 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 54.44 111.147 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.44 -0.09 4.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.875 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.456 HD13 ' CD ' ' A' ' 45' ' ' GLU . 5.3 mp -133.41 -38.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 71.21 111.137 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD21 ' C ' ' A' ' 34' ' ' GLY . 2.1 mt -131.82 158.1 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 62.24 110.926 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.87 158.98 79.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 75.24 110.902 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 72.31 112.316 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -53.43 -45.23 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.24 110.848 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.03 -44.53 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.834 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -68.54 -55.03 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 70.42 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.97 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.31 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.83 39.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.55 111.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.27 -36.73 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 61.4 111.1 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.668 HD13 ' CD ' ' A' ' 71' ' ' GLU . 16.9 mt -61.34 -50.69 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.915 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -69.86 -31.15 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.876 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.29 -40.6 62.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.857 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.0 m -139.42 43.39 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.21 110.91 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.7 -35.65 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.915 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 150.43 7.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 65.13 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.96 49.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.74 2.293 . . . . 74.52 112.337 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 51.46 29.12 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.859 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.03 -21.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 55.52 110.857 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.84 176.74 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.884 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.79 158.08 50.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 71.44 110.902 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.8 -12.1 32.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.63 2.22 . . . . 52.12 112.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 29.98 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.908 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -134.75 14.93 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.21 110.921 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.62 -9.32 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.923 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -94.69 -15.14 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 74.12 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.18 -31.96 30.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 61.22 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -90.58 -38.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.14 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -81.31 -74.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.846 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.444 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 132.4 35.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 74.22 112.49 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.567 ' O ' HD21 ' A' ' 43' ' ' LEU . 32.1 mtp -70.49 -52.04 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 74.23 110.854 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.35 -33.9 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 75.34 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.2 -22.2 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -86.16 -163.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.918 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -120.25 160.74 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.867 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.29 -47.14 55.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.88 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -60.62 -25.92 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.814 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -92.33 -15.31 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 106' ' ' VAL . 8.0 mt -96.08 -18.04 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -68.67 -25.12 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 54.12 110.915 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CD ' HD13 ' A' ' 5' ' ' ILE . 1.2 pp20? -55.65 -49.4 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.818 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.0 mp -47.57 -45.56 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.183 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -37.76 68.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.922 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.15 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.5 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.492 HG22 HH21 ' A' ' 69' ' ' ARG . 25.5 mm -105.61 -12.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 62.1 111.12 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -93.67 -25.69 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.874 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -68.89 118.17 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.927 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.83 7.13 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.853 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -1.51 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.88 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 52.6 20.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.3 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -24.74 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.874 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.14 -17.33 8.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 71.4 112.503 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -133.43 169.0 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 71.41 110.824 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.7 mt -117.3 82.85 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.168 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.44 172.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.65 -30.83 70.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.887 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.52 -18.59 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 64.21 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.38 -19.19 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.31 -29.66 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 54.04 110.915 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.7 ptpt -61.32 -27.88 68.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.887 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 76' ' ' VAL . 56.8 m-85 -92.07 23.38 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.97 -28.78 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 63.34 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.73 -12.08 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.927 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.86 7.77 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.917 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.492 HH21 HG22 ' A' ' 49' ' ' ILE . 5.2 mmm180 -106.2 -30.43 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.6 m-85 -99.6 -22.36 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.859 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.668 ' CD ' HD13 ' A' ' 15' ' ' LEU . 4.2 tp10 -115.28 -19.87 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.857 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p 46.98 61.52 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 64.25 110.892 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.28 -17.38 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.459 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.92 179.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 54.43 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -77.42 175.72 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -95.8 -168.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 54.52 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 67' ' ' LEU . 67.9 mt -104.37 137.37 42.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' H ' ' A' ' 80' ' ' SER . 9.9 t -76.74 -176.07 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 71.51 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.71 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.094 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.841 ' H ' HG23 ' A' ' 78' ' ' THR . 13.3 t -109.0 -6.41 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 52.32 110.89 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.611 ' OE2' HG22 ' A' ' 78' ' ' THR . 32.9 mt-10 -97.03 -60.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.34 -48.95 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.31 111.145 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -51.41 -46.5 62.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 44.51 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.9 m -56.63 -57.53 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.131 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.24 -50.07 51.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.842 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' OD2' ' A' ' 90' ' ' ASP . 3.7 tp -64.74 -32.61 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.16 -3.95 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.096 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.23 -13.38 10.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 61.22 111.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -118.21 -40.67 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 50.15 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 86' ' ' LEU . 3.3 m-20 -93.65 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 50.63 21.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.819 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -105.43 -16.3 14.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.65 6.4 73.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 62.43 112.495 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB3' ' HD3' ' A' ' 96' ' ' LYS . 2.3 m-20 -72.79 -42.69 63.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 74.34 110.871 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.28 57.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 72.22 112.498 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HB3' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -150.08 123.26 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 65.55 110.927 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.649 HD13 ' OD2' ' A' ' 90' ' ' ASP . 7.9 mm -67.57 147.24 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.41 111.127 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.06 -179.81 16.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 73.52 112.538 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.41 8.52 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 65.43 111.096 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -124.31 -4.27 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.18 9.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -96.11 -64.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.04 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -37.62 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.915 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.03 -33.39 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.927 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.82 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -78.07 -17.48 56.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.868 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 43' ' ' LEU . 18.7 t -80.15 -77.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.078 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.01 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.821 -179.806 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 62.14 111.127 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.464 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -118.67 -4.81 10.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 64.53 110.852 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.464 HD12 ' C ' ' A' ' 4' ' ' ASP . 5.0 mp -139.06 -47.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.144 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.4 HD21 ' C ' ' A' ' 34' ' ' GLY . 5.4 mt -125.84 158.89 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.891 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.75 160.81 78.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.678 0.751 . . . . 74.4 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 72.14 112.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -46.4 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.832 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -58.66 -35.2 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 55.02 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.78 -51.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.149 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.8 -22.35 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 51.22 111.079 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.63 -22.5 37.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 50.33 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -95.74 -29.37 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.5 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 71' ' ' GLU . 44.7 mt -69.42 -54.35 14.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.54 110.904 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -69.91 -26.48 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.43 -52.56 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -131.8 40.38 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 62.02 110.902 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -52.44 -36.54 54.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.919 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 72.41 111.056 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.89 68.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 71.23 112.344 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' HB3' HG21 ' A' ' 78' ' ' THR . 4.3 p-10 42.85 34.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.828 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.6 -12.28 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.847 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -125.08 140.05 53.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.33 160.39 29.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 63.51 110.86 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.629 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.75 -15.82 37.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 75.31 112.354 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.56 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 61.12 110.921 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -127.69 11.18 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -105.48 -19.18 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -81.6 -4.88 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -93.18 -36.87 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.914 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.626 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -88.12 -26.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.34 111.104 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.01 -69.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.878 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.57 40.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 53.34 112.484 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 39.7 mtp -70.93 -48.71 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 62.14 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 106' ' ' VAL . 75.7 p -53.8 -33.87 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.846 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -16.81 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -92.85 159.84 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.903 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 179.33 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -10.16 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.844 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -93.19 -32.1 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.887 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.445 HE21 HG23 ' A' ' 5' ' ' ILE . 18.2 mt-30 -72.32 -35.64 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.95 -17.49 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.959 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 3.8 mtmp? -70.42 -26.3 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.901 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.56 -46.79 88.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 43.34 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.8 mt -56.7 -37.36 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.117 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -38.63 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 62.25 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -12.49 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.906 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mm -97.12 -16.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 62.32 111.146 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.33 -24.98 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.907 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.51 117.14 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.865 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.9 0.58 35.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 52.05 110.906 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 0.77 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.852 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 51.75 21.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 65.34 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -69.32 -17.74 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.839 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.46 -16.32 21.9 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.809 -0.71 . . . . 61.53 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -132.93 166.53 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 72.5 110.865 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.16 105.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 72.11 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.79 168.41 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.72 -30.28 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 50.43 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.01 -22.65 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 63.51 110.862 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.12 -18.76 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.905 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.2 -29.67 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.2 ptpt -62.47 -26.82 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 54.44 110.88 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CD1' HG12 ' A' ' 76' ' ' VAL . 44.1 m-85 -93.03 23.49 4.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 70.14 110.93 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.4 t80 -55.98 -27.83 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.901 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -83.37 -17.66 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 71.53 110.931 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -83.03 3.7 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 62.34 110.929 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.02 -30.62 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.861 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' HD11 ' A' ' 15' ' ' LEU . 55.4 m-85 -105.48 -15.47 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 54.44 110.923 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -115.75 -35.12 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 59.46 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 31.33 110.849 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.25 -16.37 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 53.11 112.477 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.09 174.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 61.15 111.103 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HG3' HD12 ' A' ' 67' ' ' LEU . 1.6 ptp85 -70.46 -173.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.86 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -106.68 -167.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 67' ' ' LEU . 37.4 mt -103.94 134.56 47.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.922 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.804 HG23 ' H ' ' A' ' 80' ' ' SER . 10.1 t -77.04 -178.67 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.14 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.86 58.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.088 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.804 ' H ' HG23 ' A' ' 78' ' ' THR . 42.0 t -104.34 -9.49 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' CG ' HG22 ' A' ' 78' ' ' THR . 7.6 mm-40 -96.81 -59.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.24 110.905 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.87 -47.96 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 62.45 111.106 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -50.53 -51.81 44.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 26' ' ' PRO . 16.7 m -52.35 -57.02 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.54 111.138 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -51.04 -46.55 61.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 90' ' ' ASP . 10.9 tp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.15 110.892 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -2.13 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.87 -17.7 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 71.11 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -130.25 -9.71 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 65.25 111.104 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.422 ' OD2' HD13 ' A' ' 97' ' ' ILE . 1.3 m-20 -134.33 27.04 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.64 -17.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 60.3 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -60.39 -29.65 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 52.04 110.876 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.36 18.14 43.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 53.42 112.548 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.7 -33.59 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 74.23 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.41 12.09 70.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 63.41 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 120.29 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 72.42 110.877 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.0 mm -69.83 144.81 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.4 111.118 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.49 179.89 16.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 74.23 112.425 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.427 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -85.93 8.45 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 64.13 111.082 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -119.15 -12.11 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.42 110.902 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -124.63 9.7 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 71.54 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.411 ' HD2' HG21 ' A' ' 97' ' ' ILE . 40.6 t80 -94.59 -60.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -37.33 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.23 110.959 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.22 -31.61 63.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 73.51 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.419 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.1 ppp? -81.83 -15.05 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 60.23 110.904 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 43' ' ' LEU . 14.9 t -84.37 -78.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.21 111.12 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.39 -35.4 80.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.876 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 63.1 110.875 -179.804 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.784 0.326 . . . . 62.42 111.113 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.68 -3.43 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.456 HG23 ' NE2' ' A' ' 42' ' ' GLN . 4.9 mp -132.67 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.15 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 19.6 mt -97.22 158.5 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.13 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 161.06 76.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.683 0.754 . . . . 65.25 110.806 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 42.12 112.367 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -54.81 -46.51 74.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.894 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.75 -34.98 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -75.49 -52.8 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.145 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.69 38.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.135 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.97 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.21 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -85.78 -45.55 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 55.31 111.087 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' C ' ' A' ' 70' ' ' PHE . 13.8 mt -52.88 -53.28 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 64.5 110.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -70.27 -31.57 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 54.42 110.873 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -39.8 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.908 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.71 46.18 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.848 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.08 -36.57 77.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.946 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 148.97 23.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 65.23 111.104 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.81 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.715 2.277 . . . . 70.13 112.326 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.32 29.21 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.79 14.66 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.854 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -131.35 164.63 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.897 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 160.72 58.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 73.24 110.869 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.0 Cg_endo -69.79 -20.83 34.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 62.52 112.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 29.81 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.886 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -134.99 17.65 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.16 -9.56 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -90.46 -15.14 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.853 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.56 -33.97 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -89.78 -31.19 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 2.4 t -91.8 -69.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 60.34 110.833 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.676 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.82 29.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 55.33 112.51 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.8 mtp -63.25 -49.02 75.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 62.23 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.672 ' HA ' HG12 ' A' ' 106' ' ' VAL . 8.0 m -54.01 -35.12 61.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 51.52 110.873 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -66.02 -14.01 60.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.02 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.84 156.3 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 73.25 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 m -74.1 164.03 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 75.52 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.36 -17.0 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 61.22 110.855 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -87.98 -32.58 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 51.35 110.907 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.456 ' NE2' HG23 ' A' ' 5' ' ' ILE . 20.2 mt-30 -73.72 -31.93 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 72.45 110.888 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.606 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.4 mt -75.07 -18.05 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -70.21 -27.31 64.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.919 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -62.26 -46.77 87.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.4 mt -58.47 -29.97 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 62.04 111.138 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -24.22 66.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.882 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -3.34 38.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 71.53 110.887 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.2 mm -109.36 -14.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.115 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.08 -25.67 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.947 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.7 117.96 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 71.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 2.06 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.895 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.95 1.27 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.852 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 51.46 21.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -71.03 -17.36 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.77 -15.06 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 64.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -130.59 162.5 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 71.31 110.907 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -117.59 102.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.17 164.9 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.901 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.37 -28.88 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.852 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -24.08 67.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 70.53 110.927 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -112.8 -14.27 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.859 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.6 OUTLIER -77.1 -27.17 54.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.941 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -64.19 -11.96 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.44 110.931 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 76' ' ' VAL . 13.5 m-85 -97.27 22.22 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -56.44 -26.21 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.897 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 77' ' ' LEU . 1.3 mt -86.75 -13.35 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 55.53 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 14.4 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.903 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.08 -34.77 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.873 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.62 ' C ' HD11 ' A' ' 15' ' ' LEU . 63.8 m-85 -95.22 -25.32 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.905 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -112.09 -32.99 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 72.23 110.899 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m 62.65 59.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 154.66 -19.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 22.24 112.479 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 179.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 65.42 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.52 179.72 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 73.45 110.908 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -99.82 -168.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.127 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 67' ' ' LEU . 27.2 mt -103.73 138.77 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.957 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 9.4 t -77.12 -176.72 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 70.34 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.39 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 63.21 111.079 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 2.7 t -106.67 -9.15 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 61.15 110.911 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HG3' HG22 ' A' ' 78' ' ' THR . 33.4 mt-10 -96.29 -62.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 70.14 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.67 -47.69 58.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 65.25 111.146 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -48.73 -46.48 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.6 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.0 m -59.75 -59.87 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.53 -48.04 63.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD21 ' HA2' ' A' ' 95' ' ' GLY . 18.1 tp -63.59 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.919 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.8 2.91 24.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 60.21 111.13 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.01 -16.55 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.128 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.43 -55.58 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.097 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.11 -71.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 54.44 110.876 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 58.34 11.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 2.1 m-20 -105.38 -19.61 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.843 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.02 26.44 48.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 73.04 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -98.47 -35.2 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 75.03 110.883 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 98.54 -7.48 61.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 70.02 112.507 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 133.51 55.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 61.24 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 89' ' ' ALA . 37.3 mm -87.71 135.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.18 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.98 157.96 15.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.502 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.26 -10.64 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 51.52 111.095 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.86 -12.05 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 70.52 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -127.12 -1.25 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 71.42 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -77.11 -71.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -35.11 34.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.53 110.915 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.57 -25.99 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.899 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.7 ppp? -87.61 -18.18 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 55.43 110.891 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 36' ' ' SER . 13.1 t -80.17 -77.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 74.52 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -48.93 -33.37 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.918 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.13 110.853 -179.805 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.792 0.329 . . . . 73.1 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.03 -11.93 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.4 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.536 HG23 HE21 ' A' ' 42' ' ' GLN . 4.9 mp -123.68 -43.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 62.14 111.139 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 34' ' ' GLY . 6.5 mt -128.03 158.24 38.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.941 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.83 160.89 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 75.2 110.829 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 74.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 p -55.28 -31.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.4 110.838 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.6 -35.55 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 33.51 110.84 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.29 -54.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.089 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.06 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 62.02 111.065 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . . . -57.96 -19.91 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 40.14 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -100.35 -18.26 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.31 111.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.708 HD13 ' CD ' ' A' ' 71' ' ' GLU . 18.9 mt -75.22 -57.15 4.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 75.01 110.967 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -75.77 -3.57 35.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.893 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.31 -39.82 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -134.74 24.73 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -49.95 -39.56 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.933 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.14 152.37 4.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 71.24 111.124 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.51 53.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.724 2.283 . . . . 72.22 112.354 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.98 17.09 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.91 -18.12 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 65.05 110.836 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.63 161.3 14.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 73.3 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.78 156.85 36.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 74.13 110.863 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.71 -26.74 27.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 72.51 112.357 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 22.38 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -122.65 16.27 10.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.45 110.932 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -116.89 -18.31 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.924 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -83.14 -8.98 59.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 64.23 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.11 -39.98 15.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -87.4 -28.42 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.111 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.665 ' OG ' HD13 ' A' ' 6' ' ' LEU . 5.2 t -95.82 -69.01 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.898 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.707 ' O ' HD21 ' A' ' 6' ' ' LEU . . . 122.03 61.62 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.494 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.606 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.5 mtp -89.16 -51.11 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 65.12 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -52.81 -33.98 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.817 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.79 -24.78 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 71.11 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -77.35 -162.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.87 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 t -120.93 158.33 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 34.53 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.41 -26.77 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 63.11 110.847 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -76.77 -27.86 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.42 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.536 HE21 HG23 ' A' ' 5' ' ' ILE . 13.7 mt-30 -87.43 -33.04 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.957 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -75.92 -21.29 57.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.916 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -16.51 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.887 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.45 -46.67 63.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.1 mt -51.71 -33.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.31 111.085 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -31.2 63.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.878 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -5.53 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.857 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.459 HG22 ' HE ' ' A' ' 69' ' ' ARG . 24.1 mm -106.6 -15.01 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.41 111.161 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -25.64 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.921 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -67.71 118.85 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.48 -2.49 28.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.848 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -0.25 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.888 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 51.71 21.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -68.79 -17.99 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.88 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.31 -19.09 13.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.742 . . . . 64.34 112.534 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.57 167.18 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 55.12 110.922 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.57 101.26 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.34 111.168 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.37 161.47 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.892 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.27 -29.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.851 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.03 -26.28 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -110.74 -17.25 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.5 -29.8 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 62.4 110.927 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.0 ptpt -63.12 -16.77 61.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.877 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD1' HG12 ' A' ' 76' ' ' VAL . 36.8 m-85 -100.18 41.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' HB3' HD11 ' A' ' 77' ' ' LEU . 58.9 t80 -78.6 -22.62 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 63.45 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.3 mt -90.19 -3.74 57.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.94 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 0.46 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -101.71 -30.91 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.651 ' O ' HD11 ' A' ' 15' ' ' LEU . 67.0 m-85 -100.58 -18.48 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.85 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.708 ' CD ' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -116.01 -35.83 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 63.53 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m 62.15 62.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.08 -15.13 1.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 55.42 112.507 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.43 179.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 71.01 111.121 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -76.86 -178.15 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.1 m -100.26 -168.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 82' ' ' THR . 20.1 mt -103.93 133.38 48.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 80' ' ' SER . 11.5 t -76.59 179.38 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.158 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.61 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 55.03 111.091 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.784 ' H ' HG23 ' A' ' 78' ' ' THR . 38.4 t -101.17 -10.91 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 51.42 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 78' ' ' THR . 10.2 mm-40 -97.95 -59.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.883 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.83 -48.22 73.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.42 111.111 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -49.71 -51.01 41.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.9 m -51.66 -52.48 47.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 63' ' ' LEU . 15.4 t80 -56.8 -44.27 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.87 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 tp -68.37 -16.15 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.76 -16.62 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.125 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.43 -17.07 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.22 111.088 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -124.69 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.079 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.522 ' HB2' HD13 ' A' ' 97' ' ' ILE . 29.8 t70 -104.04 26.43 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.862 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -49.93 -14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.864 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -64.45 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 70.01 110.837 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 44.45 4.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 63.42 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.72 -27.44 12.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 65.34 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.0 15.65 60.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 71.21 112.495 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 133.67 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 74.11 110.906 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.8 mm -75.11 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.105 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 157.1 19.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 63.3 112.476 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.16 -6.38 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 63.12 111.1 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -101.88 -24.18 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -110.84 0.11 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 51.15 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -75.88 -67.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -35.47 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.908 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -27.56 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.918 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.612 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.8 ppp? -85.91 -17.71 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.874 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.957 HG11 HD22 ' A' ' 43' ' ' LEU . 17.4 t -79.85 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.5 -35.38 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.842 -179.773 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.9 0.381 . . . . 74.15 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.74 HD21 HD13 ' A' ' 5' ' ' ILE . 15.8 tp -52.29 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.928 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.43 29.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 74.51 111.193 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -127.29 -1.7 6.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 34.22 110.872 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.74 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -142.29 -66.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 70.01 111.137 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.68 HD21 ' C ' ' A' ' 34' ' ' GLY . 14.9 mt -96.83 158.14 15.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.957 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.05 160.16 76.79 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 75.44 110.857 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.662 2.242 . . . . 51.04 112.332 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.1 p -57.42 -31.34 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.883 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.43 -35.5 65.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 64.43 110.909 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.41 -51.09 19.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 75.33 111.172 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.25 -24.6 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 63.15 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.28 -31.08 23.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 51.22 111.144 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -81.58 -28.22 33.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.04 111.069 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.604 HD11 ' C ' ' A' ' 70' ' ' PHE . 11.3 mt -69.77 -54.5 13.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 73.54 110.916 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -66.92 -26.16 66.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 73.1 110.89 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -53.78 -51.32 63.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 81.1 m -133.08 42.92 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.895 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -59.43 -34.86 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.01 110.931 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.02 151.7 43.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.532 0.682 . . . . 55.21 111.117 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 146.11 59.14 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.686 2.257 . . . . 74.41 112.316 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t0 51.44 28.99 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 72.4 110.867 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.89 -25.86 8.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.53 110.886 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.5 ' CZ ' HD22 ' A' ' 77' ' ' LEU . 9.2 p90 -94.91 -176.71 3.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.871 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.35 160.21 32.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 53.05 110.866 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.586 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.71 -24.05 30.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.718 2.278 . . . . 55.41 112.41 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.11 29.57 7.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.913 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -135.33 22.2 3.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.873 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.84 -1.66 9.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 72.31 110.858 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -96.84 -11.85 24.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 62.23 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -84.82 -36.71 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 73.1 110.971 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.8 mp -88.44 -31.2 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.3 111.161 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 m -89.97 -69.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 63.43 110.878 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.68 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.49 32.15 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 52.34 112.505 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.601 ' O ' HD21 ' A' ' 43' ' ' LEU . 65.9 mtp -64.03 -49.18 73.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 72.43 110.907 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' HG12 ' A' ' 106' ' ' VAL . 57.0 p -53.05 -33.78 53.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 73.05 110.9 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -21.78 66.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.44 110.873 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -87.15 152.35 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 64.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 t -74.05 160.08 31.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 61.4 110.859 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.632 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.69 -25.94 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 61.12 110.875 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 82.0 p -77.27 -36.78 54.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.873 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -74.37 -29.73 61.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 74.42 110.94 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.691 ' CD2' HG11 ' A' ' 106' ' ' VAL . 5.4 mt -75.75 -12.86 60.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.952 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -82.21 -32.59 29.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.33 110.89 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -55.35 -29.2 57.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 73.03 110.868 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.435 HG22 ' CD1' ' A' ' 50' ' ' LEU . 6.1 mt -76.43 -39.02 33.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 74.43 111.09 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -38.05 68.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.876 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -13.85 56.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 71.14 110.861 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 HG22 HH21 ' A' ' 69' ' ' ARG . 5.3 mm -99.07 -15.11 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.135 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.79 -25.35 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.51 110.905 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -68.15 94.41 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.32 110.882 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.39 8.0 23.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.912 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.33 -13.61 7.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 73.05 110.858 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 60.7 15.31 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 63.34 110.912 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.74 -35.92 62.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.803 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.61 -13.48 4.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.802 -0.713 . . . . 71.14 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -132.39 169.79 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 75.44 110.859 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.5 80.14 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 63.33 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -55.21 172.8 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 73.03 110.94 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -61.96 -32.84 73.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 72.4 110.91 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -19.35 63.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 71.15 110.865 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -116.49 -11.04 11.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 74.15 110.946 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -81.63 -28.84 33.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 74.01 110.917 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -64.48 -12.89 48.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.03 110.902 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CE1' HG12 ' A' ' 76' ' ' VAL . 12.6 m-85 -97.33 24.08 6.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.901 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.478 ' HB3' HD11 ' A' ' 77' ' ' LEU . 36.3 t80 -55.36 -35.1 64.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 75.42 110.872 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -79.36 -12.36 59.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 61.51 110.923 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 6.42 43.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 73.11 110.905 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.648 HH21 HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -103.12 -33.18 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.3 110.878 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.604 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.0 m-85 -100.38 -20.89 15.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 73.41 110.84 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' HG2' HD13 ' A' ' 15' ' ' LEU . 2.4 tm-20 -111.86 -35.61 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.22 110.907 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m 62.19 59.08 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 62.42 110.845 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.87 -19.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 53.54 112.517 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.83 179.57 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.778 0.323 . . . . 24.14 111.123 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -75.14 177.95 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 61.24 110.878 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.7 m -95.85 -166.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 71.12 111.101 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 67' ' ' LEU . 26.3 mt -103.81 160.45 14.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 64.44 110.907 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -104.83 -179.51 3.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 70.21 111.093 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.7 -11.57 46.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.102 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 38.3 t -102.91 -1.36 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 64.01 110.836 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.63 ' HG2' HG22 ' A' ' 78' ' ' THR . 25.4 mm-40 -113.15 -64.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.889 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.86 -48.69 60.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.5 111.144 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.4 mttt -53.61 -51.78 61.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.24 110.886 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -55.28 -57.9 9.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 63.2 111.156 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -50.47 -45.42 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.41 110.846 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.436 ' HA ' HD11 ' A' ' 97' ' ' ILE . 14.5 tp -64.77 -36.93 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.55 5.18 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.35 111.145 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.24 -16.31 10.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.12 111.092 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.747 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.65 -55.24 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 71.43 111.125 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.429 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 27.1 t70 -59.19 -72.6 0.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 58.93 10.66 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.88 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.517 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.4 m-20 -106.3 -15.19 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 110.872 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.18 43.9 30.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 73.22 112.48 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.517 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -117.77 -17.14 9.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 73.11 110.884 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.42 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 75.73 21.6 76.48 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 72.11 112.508 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -147.95 126.39 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.338 . . . . 74.23 110.873 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.747 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.3 mm -79.96 144.66 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 62.13 111.128 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.57 175.94 15.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 64.45 112.49 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.02 5.25 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 71.41 111.102 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -115.56 -19.62 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.14 110.909 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -112.87 9.68 18.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 75.03 110.924 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -91.8 -62.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 51.44 110.869 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -39.89 46.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.13 110.887 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -56.35 -33.07 65.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 74.1 110.929 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.564 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -78.95 -15.01 58.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.834 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG11 ' CD2' ' A' ' 43' ' ' LEU . 12.8 t -85.28 -78.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 72.4 111.165 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -61.13 -35.4 76.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 72.44 110.934 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 30.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.827 -179.776 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.88 0.371 . . . . 71.01 110.831 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.705 HD11 HD13 ' A' ' 5' ' ' ILE . 3.5 tp -84.96 -75.96 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 72.41 110.906 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.69 27.25 1.46 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 64.54 111.168 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.32 -3.85 9.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 43.13 110.849 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.705 HD13 HD11 ' A' ' 2' ' ' LEU . 5.2 mp -140.85 -46.59 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 64.52 111.139 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.626 HD13 ' OG ' ' A' ' 33' ' ' SER . 8.2 mt -125.93 158.51 35.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 72.12 110.917 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.06 160.44 78.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 63.33 110.856 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -49.56 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.713 2.275 . . . . 70.02 112.374 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.4 p -53.96 -46.26 71.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.43 110.844 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -59.1 -35.36 73.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.847 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.5 mt -76.33 -52.86 16.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 62.24 111.122 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.69 -23.38 41.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 61.42 111.073 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.47 -23.38 40.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 52.5 111.089 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.32 -26.83 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 52.2 111.091 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD13 ' HG2' ' A' ' 71' ' ' GLU . 51.4 mt -69.77 -55.22 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 71.23 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -70.53 -11.91 61.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 62.45 110.868 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -74.79 -40.56 61.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.871 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -134.42 36.98 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 52.31 110.882 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -61.42 -32.16 72.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 74.3 110.875 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.12 151.89 4.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.58 0.705 . . . . 40.22 111.097 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.36 37.69 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 2.245 . . . . 54.44 112.312 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.5 t0 62.89 16.2 8.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.882 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.07 -37.53 8.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 55.43 110.889 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.95 170.27 3.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.505 . . . . 73.2 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -157.73 148.89 16.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.659 0.742 . . . . 61.35 110.853 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.531 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.82 -11.34 30.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 53.3 112.334 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.92 25.28 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 54.34 110.889 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.94 18.36 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.872 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -118.75 -20.27 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.31 110.863 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -82.96 -8.85 59.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 74.25 110.851 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -90.4 -38.65 13.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.91 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.591 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.5 mp -88.58 -25.91 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 73.15 111.093 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.626 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.3 t -94.69 -69.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.852 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.87 31.82 0.85 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.721 -0.752 . . . . 61.45 112.474 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.599 ' O ' HD21 ' A' ' 43' ' ' LEU . 53.5 mtp -63.33 -49.98 71.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 55.34 110.867 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.511 ' HA ' HG12 ' A' ' 106' ' ' VAL . 83.0 p -54.01 -33.39 57.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.23 110.891 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -63.8 -15.98 60.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 75.44 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -94.21 158.94 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 65.15 110.94 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.7 t -73.81 -179.72 3.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 72.3 110.878 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.1 -16.6 57.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 64.13 110.848 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 p -89.65 -11.9 41.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 65.01 110.851 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.619 HE21 HG23 ' A' ' 5' ' ' ILE . 11.9 mt-30 -94.5 -35.7 12.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 74.02 110.88 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.685 HD22 HG11 ' A' ' 106' ' ' VAL . 2.8 mt -73.13 -20.29 60.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.946 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.62 -23.0 62.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 61.25 110.866 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.22 -46.64 87.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 52.13 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.2 mp -55.8 -37.51 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 61.22 111.15 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -39.57 67.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 64.44 110.893 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -12.96 57.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 70.34 110.858 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.7 mm -99.04 -13.03 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 72.41 111.169 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.48 -25.75 17.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.93 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -69.16 117.46 10.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.893 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.18 10.62 29.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.2 110.882 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.4 -1.65 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.87 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 52.54 20.86 1.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 55.21 110.906 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -71.07 -27.8 63.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.51 110.87 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.04 -16.55 7.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 54.44 112.452 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -133.0 169.28 17.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 74.24 110.902 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 mt -116.98 83.12 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.12 111.127 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.31 174.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.1 110.898 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -62.86 -31.01 71.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 65.11 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -60.97 -19.13 60.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 73.41 110.908 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -113.49 -29.45 7.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -58.6 -42.15 87.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 40.52 110.932 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 8.5 ptpt -51.4 -29.51 16.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.912 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 76' ' ' VAL . 80.7 m-85 -94.66 43.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 70.22 110.933 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -79.06 -25.34 43.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.74 -13.14 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 63.54 110.922 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -0.48 53.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.904 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -99.39 -30.99 11.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 70.14 110.864 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.558 ' O ' HD11 ' A' ' 15' ' ' LEU . 60.8 m-85 -104.88 -18.15 14.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.892 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HG2' HD13 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -113.81 -24.81 8.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.52 110.892 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.9 p 48.14 61.89 2.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 42.02 110.883 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.22 -15.36 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.757 . . . . 65.21 112.479 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.55 175.64 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 65.32 111.111 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -73.7 -170.76 0.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 62.42 110.882 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.9 m -106.68 -166.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 54.23 111.184 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.936 HD21 HD21 ' A' ' 67' ' ' LEU . 52.9 mt -103.92 134.67 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 75.05 110.928 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 10.5 t -76.35 -179.25 5.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.151 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.71 -11.76 55.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 72.22 111.081 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 33.8 t -104.64 -8.06 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.14 110.838 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' CG ' HG22 ' A' ' 78' ' ' THR . 18.4 mm-40 -98.39 -58.89 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.858 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.613 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.13 -48.96 72.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.53 111.172 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -53.09 -46.57 68.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.919 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.531 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.5 m -55.68 -53.0 61.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 75.53 111.133 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -54.32 -48.34 71.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 72.34 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 15.4 tp -65.05 -34.7 79.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 72.41 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.11 2.69 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.8 -15.12 10.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 52.21 111.115 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.44 -55.9 2.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.134 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.603 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.41 -72.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.927 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 61.88 10.84 3.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 71.32 110.811 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.15 -14.29 15.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 53.14 110.854 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.41 20.93 73.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 70.12 112.488 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.5 -39.22 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 74.34 110.85 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.69 18.13 52.54 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 74.45 112.505 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.33 120.85 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.709 0.29 . . . . 70.12 110.873 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.603 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.9 mm -73.28 153.05 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.42 111.145 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -138.53 -148.66 5.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 33.4 112.502 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.59 1.27 23.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.309 . . . . 51.14 111.061 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -115.96 -0.45 12.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.571 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -133.31 5.35 3.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 64.21 110.905 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -94.01 -69.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 73.32 110.91 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -37.43 49.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 72.05 110.858 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.29 -31.42 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 73.31 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.774 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.0 OUTLIER -82.12 -15.64 52.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 74.23 110.89 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.685 HG11 HD22 ' A' ' 43' ' ' LEU . 13.8 t -84.22 -78.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.121 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -35.59 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 63.53 110.901 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.851 -179.799 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.959 0.409 . . . . 64.12 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.868 HD21 HD13 ' A' ' 5' ' ' ILE . 18.1 tp -85.65 -74.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 75.01 110.906 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.4 29.75 2.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 60.42 111.135 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -126.51 -1.66 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.15 110.843 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.868 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -143.23 -67.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.102 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD13 ' OG ' ' A' ' 33' ' ' SER . 12.3 mt -96.94 159.09 15.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 42.24 110.934 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.98 160.86 77.56 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 65.22 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -48.84 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.668 2.245 . . . . 71.51 112.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -53.7 -46.63 70.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 60.44 110.813 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -59.3 -35.01 73.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.885 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.74 -52.84 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.134 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -28.68 53.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 23.15 111.124 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.95 -25.33 48.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 51.11 111.083 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -88.35 -45.85 9.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 54.14 111.121 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.575 HD11 ' CB ' ' A' ' 70' ' ' PHE . 15.1 mt -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.9 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -73.29 -31.64 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 64.43 110.881 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -52.95 -40.22 63.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 64.55 110.916 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.1 m -138.95 41.15 2.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 65.04 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -55.67 -37.62 68.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.931 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.21 153.3 3.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.624 0.726 . . . . 64.0 111.094 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 143.93 52.44 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.721 2.281 . . . . 75.4 112.341 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 42.7 t0 54.91 26.44 7.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.31 110.878 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.0 m -111.27 -24.12 10.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.85 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.68 175.1 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 51.2 110.871 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -149.94 152.55 34.39 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.714 . . . . 74.32 110.884 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.679 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.76 -12.25 32.51 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.65 2.234 . . . . 72.24 112.365 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.92 22.39 9.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 65.04 110.94 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -131.88 14.88 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 62.24 110.848 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.5 -9.44 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.926 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -90.48 -13.79 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 63.35 110.894 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.44 -31.92 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.41 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.3 mp -94.87 -31.12 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 64.22 111.148 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.667 ' OG ' HD13 ' A' ' 6' ' ' LEU . 7.5 t -88.31 -69.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 75.52 110.834 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.599 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.62 30.06 0.93 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 33.32 112.458 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.614 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.3 mtp -63.07 -54.06 43.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 45.43 110.829 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.29 -34.06 55.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.43 110.841 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -59.61 -20.71 57.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.23 110.864 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -86.3 -162.24 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.1 110.91 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.5 m -120.88 160.43 23.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 62.32 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.544 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.47 -25.37 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 61.13 110.867 -179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.83 -27.94 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.865 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' HG23 ' A' ' 5' ' ' ILE . 23.7 mt-30 -86.99 -30.75 21.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 74.42 110.887 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.905 HD22 HG11 ' A' ' 106' ' ' VAL . 2.4 mt -78.37 -20.57 50.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.25 110.932 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -16.34 60.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 70.04 110.91 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -69.55 -50.78 41.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.882 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.7 mt -50.86 -34.4 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 74.23 111.083 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -37.74 68.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 72.31 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -11.87 54.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.845 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 35.3 mm -99.33 -13.37 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.12 111.173 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.83 -25.72 17.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -69.6 118.64 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 71.24 110.922 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.93 9.59 32.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.22 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.12 -0.61 2.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.887 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 52.86 20.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 60.54 110.921 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.77 -23.49 61.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.812 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.99 -11.52 17.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.79 -0.719 . . . . 72.42 112.505 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -133.58 164.4 27.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 73.3 110.901 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 mt -116.66 89.88 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 62.1 111.144 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.02 174.61 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 71.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.12 -33.02 74.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 75.52 110.884 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -61.65 -16.65 50.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 62.45 110.843 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -117.6 -18.13 9.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.853 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.72 -29.71 61.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 61.13 110.892 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.37 -19.81 62.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 71.35 110.848 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -95.14 21.01 8.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 72.24 110.946 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -55.52 -32.09 62.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 73.12 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 77' ' ' LEU . 1.1 mt -80.69 -14.52 58.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 51.4 110.888 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 6.78 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.92 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -103.62 -30.76 10.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.86 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.575 ' CB ' HD11 ' A' ' 15' ' ' LEU . 68.2 m-85 -100.04 -26.15 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.891 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.548 ' HB2' HD13 ' A' ' 15' ' ' LEU . 7.6 tt0 -111.72 -34.22 6.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 73.1 110.881 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t 62.96 59.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 64.44 110.875 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.32 -20.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 74.31 112.45 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.41 174.67 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 52.43 111.127 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.19 -174.09 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.872 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -113.06 151.68 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 65.44 111.096 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.683 HD21 HD21 ' A' ' 67' ' ' LEU . 24.4 mt -57.04 134.43 55.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.43 110.893 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.867 HG23 ' H ' ' A' ' 80' ' ' SER . 10.2 t -77.31 -175.57 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.124 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.89 -9.65 55.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.51 111.101 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.867 ' H ' HG23 ' A' ' 78' ' ' THR . 31.6 t -110.13 -4.81 15.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 70.03 110.826 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 78' ' ' THR . 40.6 mt-10 -98.53 -60.68 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.863 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.584 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.77 -48.57 59.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.41 111.139 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -51.1 -46.68 61.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 63.44 110.852 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.679 HG22 ' HG3' ' A' ' 26' ' ' PRO . 29.3 m -59.69 -59.99 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 73.25 111.127 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -50.43 -47.52 56.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 74.21 110.859 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' HA ' HD11 ' A' ' 97' ' ' ILE . 10.0 tp -64.6 -36.45 84.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 70.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.68 1.63 29.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 72.14 111.127 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.78 -16.64 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.21 111.122 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.792 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -114.87 -55.92 2.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 73.43 111.073 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 32.6 t70 -59.06 -71.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 51.1 110.883 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 60.27 9.36 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.863 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.497 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.3 m-20 -105.55 -18.65 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.908 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.444 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.34 16.79 73.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 62.2 112.482 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.497 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.35 -33.75 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 72.12 110.872 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.32 13.33 56.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 25.43 112.48 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.24 126.85 17.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 74.22 110.867 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.792 HD12 ' HB3' ' A' ' 89' ' ' ALA . 49.2 mm -71.83 145.06 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.51 111.103 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.41 ' H ' ' HG2' ' A' ' 101' ' ' GLU . . . -122.93 157.07 17.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 55.04 112.494 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.2 -4.51 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.794 0.331 . . . . 61.1 111.144 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -104.58 -21.08 13.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 71.55 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 98' ' ' GLY . 3.7 pt-20 -111.43 0.12 16.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.875 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -78.21 -67.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 71.31 110.891 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -35.46 31.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.119 -0.491 . . . . 73.22 110.94 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -56.05 -30.34 61.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.876 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -82.79 -16.77 46.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 54.51 110.948 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.905 HG11 HD22 ' A' ' 43' ' ' LEU . 20.5 t -80.61 -77.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.158 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -65.53 -35.05 79.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.956 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.826 -179.792 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.896 0.379 . . . . 73.14 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.526 HD13 ' CD1' ' A' ' 5' ' ' ILE . 1.1 mt 69.42 -75.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 55.54 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 51.8 24.64 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.34 111.188 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -108.3 -12.08 15.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 61.31 110.896 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.598 HG23 HE21 ' A' ' 42' ' ' GLN . 2.2 mp -118.08 -46.36 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.53 111.127 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.59 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.4 mt -131.06 158.91 39.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 75.34 110.938 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.6 160.9 78.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.723 0.773 . . . . 75.24 110.797 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 -49.25 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 55.21 112.331 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.38 -46.57 73.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.837 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.52 -35.37 74.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.851 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.5 mt -75.51 -50.7 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 73.2 111.127 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.46 -26.6 43.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 73.43 111.118 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.94 -21.66 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 62.11 111.11 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.42 111.14 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 HD13 ' HB2' ' A' ' 71' ' ' GLU . 55.4 mt -57.83 -50.45 73.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.929 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -70.57 -31.77 68.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.808 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -52.28 -44.21 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.24 110.884 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 34.5 m -134.06 41.35 2.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 32.42 110.913 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -59.19 -31.48 69.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 75.01 110.945 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.18 150.6 2.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.542 0.687 . . . . 63.15 111.134 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.78 65.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.646 2.23 . . . . 64.25 112.379 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 43.43 33.17 0.59 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.87 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.97 -35.35 3.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.805 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -64.8 174.99 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.5 110.9 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.85 155.39 31.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 72.01 110.816 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.77 -12.7 33.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.235 . . . . 75.42 112.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.51 35.84 4.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.31 110.882 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -129.04 20.82 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.905 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.53 0.23 9.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 73.13 110.879 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -106.63 -13.31 15.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 73.13 110.872 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -91.27 -29.47 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 65.42 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -99.57 -24.58 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 65.51 111.184 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.2 t -99.06 -68.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.896 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.26 33.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.478 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.56 ' O ' HD21 ' A' ' 43' ' ' LEU . 50.2 mtp -63.24 -49.36 74.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 73.04 110.853 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.8 p -53.95 -35.25 61.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 64.34 110.874 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.2 mmmt -64.76 -15.56 61.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 72.0 110.901 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -84.34 -163.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.929 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -120.62 158.74 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.869 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.421 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.65 -31.61 37.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.815 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -73.6 -35.52 65.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 72.2 110.864 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.598 HE21 HG23 ' A' ' 5' ' ' ILE . 13.0 mt-30 -73.57 -46.35 47.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 74.12 110.902 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.781 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -62.65 -18.29 62.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.05 110.91 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -70.26 -26.66 63.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 72.1 110.925 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -59.35 -46.01 89.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.895 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.426 HG22 ' CD1' ' A' ' 50' ' ' LEU . 5.1 mt -53.17 -40.86 40.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 71.23 111.117 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.29 -40.15 67.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 73.12 110.847 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -12.47 55.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 75.32 110.835 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.3 mm -97.74 -17.24 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 73.33 111.103 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.8 OUTLIER -92.0 -25.5 18.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.901 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.46 117.8 8.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.73 -2.5 21.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 61.13 110.906 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.34 0.25 3.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.846 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.28 22.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.926 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -69.08 -14.83 63.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.901 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.63 -20.35 18.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 32.11 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -132.45 171.79 13.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.827 0.346 . . . . 74.04 110.916 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -119.37 100.73 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 70.23 111.135 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.56 167.64 21.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 65.33 110.883 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -53.17 -29.85 34.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.45 110.842 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -61.84 -22.62 65.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.869 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -113.21 -17.43 12.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.886 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -74.29 -29.5 61.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.925 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.5 ptpt -62.28 -28.6 69.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 65.02 110.862 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 76' ' ' VAL . 74.7 m-85 -91.61 23.54 3.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 74.05 110.965 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -56.77 -28.89 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 73.44 110.906 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -84.91 -13.73 49.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 74.0 110.962 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.96 6.01 30.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.906 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -104.7 -30.64 9.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 75.32 110.904 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.514 ' CB ' HD11 ' A' ' 15' ' ' LEU . 37.0 m-85 -101.06 -18.83 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.822 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.755 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -116.71 -22.65 8.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.886 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.0 p 48.36 60.87 3.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.33 110.834 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.51 -18.43 0.68 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 70.31 112.511 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.13 178.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 74.42 111.088 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -78.61 175.15 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.7 m -93.26 -168.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.16 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.996 HD21 HD21 ' A' ' 67' ' ' LEU . 78.8 mt -103.86 139.71 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 72.21 110.876 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.87 -177.42 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 53.44 111.18 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.11 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 75.31 111.097 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -108.47 -8.5 15.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 41.14 110.868 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.486 ' CG ' HG22 ' A' ' 78' ' ' THR . 5.8 mm-40 -96.21 -61.34 1.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 65.22 110.86 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.53 -48.46 63.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.167 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -49.58 -49.67 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.7 m -52.36 -56.49 14.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 62.52 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -51.85 -47.43 64.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 71.25 110.91 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.499 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 29.3 tp -63.81 -34.3 77.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 73.03 110.921 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.02 3.28 49.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 72.02 111.132 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.76 -16.82 10.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 55.04 111.064 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.636 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.95 -56.06 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 60.04 111.081 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.626 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.16 -69.35 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.882 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 55.39 17.21 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 71.43 110.883 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -113.06 -11.94 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.87 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.8 78.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 73.24 112.438 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -82.23 -39.44 23.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 62.34 110.874 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.19 21.37 41.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 53.31 112.5 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -156.3 119.84 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.787 0.327 . . . . 74.44 110.906 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.626 HD13 ' OD2' ' A' ' 90' ' ' ASP . 13.6 mm -68.78 152.42 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 63.24 111.148 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.41 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -134.28 -148.97 5.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 70.1 112.449 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.71 -1.58 17.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 54.22 111.114 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -113.89 -2.47 13.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 64.43 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -129.07 0.06 5.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.914 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.418 ' HD2' HG21 ' A' ' 97' ' ' ILE . 44.0 t80 -86.52 -68.25 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 62.32 110.856 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -36.73 38.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 62.2 110.904 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.07 -31.97 63.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.898 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.636 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -81.5 -16.17 52.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.864 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.781 HG11 HD22 ' A' ' 43' ' ' LEU . 15.0 t -83.08 -78.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.42 111.099 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -62.03 -35.57 78.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.917 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.802 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.908 0.385 . . . . 75.33 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.737 HD21 HD13 ' A' ' 5' ' ' ILE . 14.2 tp -84.29 -74.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.926 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 47.44 30.24 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 52.41 111.149 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.39 -1.07 5.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 71.45 110.905 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.737 HD13 HD21 ' A' ' 2' ' ' LEU . 5.4 mp -142.58 -67.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 52.3 111.167 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.457 HD21 ' C ' ' A' ' 34' ' ' GLY . 7.0 mt -97.11 158.7 15.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 73.02 110.922 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.51 160.51 77.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.748 . . . . 70.44 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.673 2.248 . . . . 62.12 112.355 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.08 -46.9 72.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 62.22 110.865 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.75 -34.27 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 75.04 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.2 -51.99 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 70.01 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.93 -22.87 28.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 45.23 111.079 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.41 -26.73 32.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.084 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.98 -34.24 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 61.53 111.102 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.638 HD11 ' O ' ' A' ' 70' ' ' PHE . 21.6 mt -59.76 -56.43 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 71.04 110.912 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.05 -29.94 68.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.24 110.907 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -51.28 -47.97 62.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 77.0 m -135.84 42.96 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -57.8 -36.6 72.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 64.42 110.954 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.5 152.18 4.88 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.539 0.685 . . . . 64.44 111.142 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 148.74 65.72 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 72.54 112.334 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.58 35.37 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.892 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -117.72 -1.44 11.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 71.51 110.833 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.93 169.87 12.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 70.51 110.875 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.72 162.3 52.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.683 0.754 . . . . 71.54 110.854 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.732 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.3 Cg_endo -69.8 -11.22 30.33 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.684 2.256 . . . . 72.01 112.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 25.77 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.25 110.895 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.76 9.76 9.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.68 -29.54 9.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.908 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -69.18 -10.91 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 71.51 110.88 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -86.73 -32.26 20.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.891 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.3 mp -96.96 -28.59 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.137 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.449 ' HB2' HD13 ' A' ' 6' ' ' LEU . 91.6 p -90.14 -64.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 50.32 110.859 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 120.51 34.3 0.94 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 72.34 112.445 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.527 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.2 mtp -64.72 -51.45 62.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 72.03 110.861 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.452 ' HA ' HG12 ' A' ' 106' ' ' VAL . 9.7 p -53.18 -33.28 51.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 71.42 110.881 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -60.57 -20.63 61.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.913 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -84.21 -165.51 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 72.01 110.849 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.6 t -121.06 179.29 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 61.43 110.88 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.07 -7.32 52.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 73.11 110.88 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.0 m -98.87 -19.37 17.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 72.21 110.859 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.402 ' NE2' HG23 ' A' ' 5' ' ' ILE . 18.5 mt-30 -92.99 -46.93 7.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.941 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.708 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.5 mt -59.34 -22.58 61.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 64.1 110.929 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -73.43 -27.16 61.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.33 110.865 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HB2' HD11 ' A' ' 5' ' ' ILE . 58.8 mm-40 -61.16 -23.79 65.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 54.52 110.876 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.608 HG21 ' NH2' ' A' ' 69' ' ' ARG . 6.1 mt -77.46 -31.58 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 64.44 111.132 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -25.29 54.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 75.35 110.903 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.36 0.24 26.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 74.22 110.858 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.7 mm -113.0 -13.23 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.171 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.628 HD21 HH11 ' A' ' 69' ' ' ARG . 1.5 mp -96.91 -25.39 15.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 62.22 110.947 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -67.42 117.28 9.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.51 110.874 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -103.1 -5.12 23.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 74.43 110.87 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.29 -0.81 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 55.01 110.878 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 51.85 21.67 1.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 70.51 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.85 -14.19 62.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 64.11 110.902 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.87 -20.59 17.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 71.2 112.479 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -132.01 170.19 15.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 75.35 110.853 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -118.34 94.73 3.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 72.41 111.152 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -68.11 165.09 18.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 73.45 110.903 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.27 -27.43 22.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 44.22 110.875 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.22 -24.27 67.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.34 110.864 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -110.85 -31.89 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.908 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.0 -26.85 64.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.942 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -64.46 -9.37 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 72.15 110.916 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.473 ' CE1' HG12 ' A' ' 76' ' ' VAL . 10.6 m-85 -100.26 48.07 0.93 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 75.34 110.901 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.602 ' C ' HD23 ' A' ' 67' ' ' LEU . 73.4 t80 -80.25 -19.8 46.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 75.03 110.885 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -99.03 -9.4 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.45 110.892 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 1.7 57.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 61.11 110.958 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.628 HH11 HD21 ' A' ' 50' ' ' LEU . 5.4 ptm180 -105.84 -30.21 9.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.888 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' O ' HD11 ' A' ' 15' ' ' LEU . 63.0 m-85 -98.44 -23.82 15.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.864 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -113.67 -34.01 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.43 110.895 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.7 t 63.56 65.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 61.51 110.908 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 147.73 -16.19 1.41 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 60.21 112.469 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.4 -176.24 0.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 74.51 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -81.24 176.46 9.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 75.43 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG12 ' CE1' ' A' ' 65' ' ' TYR . 4.3 m -95.87 -168.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 64.14 111.141 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.5 mt -104.47 140.58 37.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.01 110.947 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.793 HG23 ' H ' ' A' ' 80' ' ' SER . 9.6 t -76.74 -179.41 5.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.42 111.123 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.5 -8.85 54.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.22 111.151 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.793 ' H ' HG23 ' A' ' 78' ' ' THR . 47.2 t -104.07 -12.05 16.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.82 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.782 ' HG3' HG22 ' A' ' 78' ' ' THR . 2.1 mt-10 -95.02 -61.51 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.903 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.594 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -51.6 -48.72 63.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 64.51 111.123 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -49.86 -46.08 51.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 55.54 110.88 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.732 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -57.91 -57.69 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.276 -0.42 . . . . 72.33 111.155 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -49.32 -51.11 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.872 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 1.1 tp -63.54 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 55.24 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.99 -2.62 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 73.41 111.084 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.58 -14.55 10.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 75.22 111.086 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -116.93 -55.84 2.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.102 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 3.9 t70 -61.08 -68.17 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 55.04 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 54.71 14.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.863 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.514 ' H ' ' CG ' ' A' ' 90' ' ' ASP . 10.7 m-20 -105.61 -17.78 14.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.41 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.05 24.3 61.93 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 61.21 112.489 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -100.59 -17.85 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 73.45 110.895 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.28 19.99 79.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 43.33 112.496 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -143.17 133.89 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 54.12 110.884 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 89' ' ' ALA . 35.2 mm -88.25 144.99 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.15 111.121 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -119.3 -172.45 15.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.751 . . . . 44.43 112.511 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.78 4.81 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.762 0.315 . . . . 71.34 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -125.7 2.68 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 64.1 110.892 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.4 OUTLIER -127.58 -0.42 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.886 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -93.11 -59.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 73.01 110.868 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -37.36 71.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 52.05 110.911 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -56.0 -31.18 62.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 64.35 110.841 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 1.2 ppp? -81.08 -17.67 49.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 60.41 110.86 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.708 HG11 ' CD2' ' A' ' 43' ' ' LEU . 16.7 t -79.89 -77.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 74.23 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.13 -35.34 78.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 65.1 110.949 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.851 -179.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.906 0.384 . . . . 52.51 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.036 HD21 HD13 ' A' ' 5' ' ' ILE . 19.2 tp -52.19 -73.23 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 74.34 110.884 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.37 29.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 75.24 111.13 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -122.26 -4.05 8.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.904 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 1.036 HD13 HD21 ' A' ' 2' ' ' LEU . 5.4 mp -139.98 -40.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 63.23 111.098 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.737 HD13 ' OG ' ' A' ' 33' ' ' SER . 10.5 mt -125.4 159.25 32.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.11 110.917 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.59 160.4 79.41 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.675 0.75 . . . . 71.13 110.854 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -48.78 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.625 2.217 . . . . 73.3 112.342 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.3 p -58.78 -21.13 55.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 61.12 110.889 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.64 -35.43 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 71.1 110.859 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.2 mt -80.31 -40.34 19.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 64.53 111.142 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 -21.22 63.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 35.11 111.105 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.12 -23.87 26.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.32 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -90.47 -32.15 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 74.51 111.054 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 70' ' ' PHE . 30.4 mt -58.56 -60.11 4.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 41.52 110.92 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ptp85 -67.33 -30.43 70.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 70.54 110.857 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -50.73 -39.49 52.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 64.52 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -141.54 40.84 1.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 63.54 110.902 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.23 -33.3 75.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.925 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.18 152.32 15.42 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.547 0.689 . . . . 54.14 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 150.74 68.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.667 2.245 . . . . 74.21 112.321 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 42.83 34.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 70.13 110.878 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.51 10.94 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 64.32 110.845 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -131.64 176.26 8.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.894 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.18 160.2 40.39 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.651 0.738 . . . . 73.4 110.885 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.646 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.5 Cg_endo -69.76 -14.61 36.33 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.705 2.27 . . . . 74.13 112.32 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.7 32.69 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 54.43 110.935 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -133.36 13.29 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.905 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.09 -16.81 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 72.32 110.856 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -84.82 -12.08 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 75.31 110.874 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -82.95 -38.53 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.11 110.904 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -87.27 -31.32 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.737 ' OG ' HD13 ' A' ' 6' ' ' LEU . 1.4 t -88.55 -68.5 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.4 110.875 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.509 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.07 29.22 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.724 -0.751 . . . . 74.25 112.467 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.5 mtp -59.91 -50.91 71.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.792 0.33 . . . . 70.35 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 p -54.33 -34.79 61.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 51.42 110.834 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 mmmm -63.91 -15.9 60.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 72.12 110.864 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.01 -161.99 0.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 71.31 110.908 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 t -120.62 159.05 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.806 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.554 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.03 -45.75 52.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.088 -0.505 . . . . 71.01 110.845 -179.807 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 t -61.27 -36.77 80.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.875 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.41 HE21 HG23 ' A' ' 5' ' ' ILE . 17.6 mt-30 -73.68 -36.52 65.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.849 HD22 HG11 ' A' ' 106' ' ' VAL . 4.1 mt -74.27 -13.46 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.3 mtmm -73.41 -31.5 63.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.866 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -55.36 -49.18 72.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.864 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -52.67 -43.07 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 72.3 111.147 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -38.2 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 41.05 110.871 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -12.79 58.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 74.41 110.838 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -99.7 -13.28 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.25 111.122 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.44 -25.56 18.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 75.23 110.92 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -70.05 118.69 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.32 15.74 22.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.51 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.25 0.89 1.56 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.865 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 51.37 21.35 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 70.32 110.919 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -73.98 -23.14 59.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 65.51 110.885 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.36 -11.58 21.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.747 . . . . 43.32 112.452 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -133.23 166.85 21.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 72.13 110.875 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.87 89.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 73.41 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.07 175.04 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 75.43 110.893 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -65.35 -33.03 74.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 70.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -61.39 -17.9 56.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 72.51 110.831 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -115.48 -18.06 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 63.11 110.872 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.515 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -73.91 -28.58 61.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.906 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.4 ptpt -60.65 -24.62 65.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.924 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.429 ' CD1' HG12 ' A' ' 76' ' ' VAL . 25.1 m-85 -93.1 22.25 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 77' ' ' LEU . 51.2 t80 -56.3 -24.98 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 63.14 110.881 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -87.75 -14.95 38.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.904 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.34 12.44 10.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -107.67 -31.16 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.865 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.704 ' HB2' HD21 ' A' ' 15' ' ' LEU . 94.5 m-85 -98.21 -21.58 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.05 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 2.6 tm-20 -117.44 -31.8 5.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 54.3 110.887 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 t 63.42 55.88 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.89 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 158.24 -21.24 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 71.32 112.503 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.89 176.74 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.762 0.315 . . . . 64.15 111.146 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.431 ' HG3' HD12 ' A' ' 67' ' ' LEU . 2.8 ptp180 -69.34 -174.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 73.3 110.876 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -109.58 -168.0 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 62.22 111.153 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.954 HD21 HD21 ' A' ' 67' ' ' LEU . 23.5 mt -104.25 131.83 51.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.835 HG23 ' H ' ' A' ' 80' ' ' SER . 11.8 t -76.69 -177.03 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 75.15 111.154 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.42 -11.78 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 42.01 111.098 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.835 ' H ' HG23 ' A' ' 78' ' ' THR . 44.9 t -105.91 -6.35 18.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.871 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.2 mt-10 -99.26 -59.28 1.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.919 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.661 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.97 -48.46 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.24 111.162 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -50.08 -46.66 53.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 73.44 110.893 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.646 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.6 m -59.44 -58.46 8.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.31 111.162 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -52.23 -47.77 65.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 71.53 110.899 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HA ' HD11 ' A' ' 97' ' ' ILE . 11.6 tp -64.16 -36.58 84.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 64.42 110.932 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.29 3.0 25.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 54.15 111.091 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.92 -16.28 11.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 72.13 111.145 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.17 -56.16 2.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 55.35 111.056 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 31.9 t70 -59.05 -71.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 73.3 110.864 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 60.44 10.06 2.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.874 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.6 m-20 -105.63 -19.76 13.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 71.5 110.832 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.71 16.66 72.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 54.11 112.537 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.492 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -84.34 -38.23 20.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 75.43 110.871 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 99.04 13.86 38.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.7 -0.762 . . . . 62.32 112.495 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.16 126.14 15.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.726 0.298 . . . . 71.13 110.915 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 46.8 mm -74.29 143.37 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 71.24 111.138 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.26 174.91 15.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 72.41 112.51 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.37 4.62 26.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.746 0.308 . . . . 64.45 111.098 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -115.0 -19.75 10.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.872 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -113.09 6.66 17.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 55.12 110.902 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -88.22 -65.52 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.917 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.85 -37.2 41.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 72.22 110.885 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -32.83 64.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.894 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.411 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -79.69 -16.46 55.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 52.32 110.89 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.849 HG11 HD22 ' A' ' 43' ' ' LEU . 17.5 t -81.55 -77.82 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.14 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -63.02 -35.37 79.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.882 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 50.14 110.896 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.944 0.402 . . . . 65.31 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.927 HD21 HD13 ' A' ' 5' ' ' ILE . 20.9 tp -111.05 -73.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.23 110.951 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 47.6 28.68 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.158 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -123.37 -2.09 8.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 73.31 110.865 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.927 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -143.15 -47.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 73.24 111.103 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 HD21 ' C ' ' A' ' 34' ' ' GLY . 9.2 mt -125.83 159.42 32.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 34.42 110.928 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.47 160.42 79.62 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.602 0.715 . . . . 73.34 110.916 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.02 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.658 2.238 . . . . 64.43 112.347 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.91 -46.83 71.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.22 110.812 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' HB3' ' HA ' ' A' ' 33' ' ' SER . 1.2 m-20 -59.62 -35.09 73.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 70.25 110.92 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.4 mt -75.6 -50.69 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 65.22 111.103 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.99 -30.87 48.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 61.33 111.089 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.16 -23.93 62.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.121 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.684 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -91.16 -45.04 8.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 50.41 111.119 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 71' ' ' GLU . 38.3 mt -57.67 -50.45 73.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 72.32 110.879 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 mtp-105 -71.52 -31.48 67.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.842 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.79 -46.13 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 75.05 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.8 m -136.05 42.61 2.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.904 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -56.25 -38.46 71.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 61.31 110.909 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.95 148.55 13.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 31.2 111.11 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 152.08 69.32 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 71.23 112.374 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 t70 60.06 18.51 7.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 53.33 110.879 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.95 -12.17 9.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.879 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.34 166.85 11.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 63.13 110.879 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.22 161.18 35.07 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.687 0.756 . . . . 61.51 110.852 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.724 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.77 -11.3 30.54 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.277 . . . . 72.53 112.352 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.28 32.65 5.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.891 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -127.93 20.16 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.905 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.49 7.06 8.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.53 110.83 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -115.55 -10.35 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.15 110.862 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -94.64 -25.46 16.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 71.13 110.93 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.684 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.1 mp -99.47 -25.5 3.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 65.03 111.158 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.427 ' OG ' ' N ' ' A' ' 34' ' ' GLY . 19.8 p -100.35 -61.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.52 110.883 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.98 37.99 0.63 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 64.3 112.555 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.569 ' O ' HD21 ' A' ' 43' ' ' LEU . 46.7 mtp -66.01 -48.68 70.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.761 0.315 . . . . 72.3 110.88 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.2 p -54.15 -33.3 57.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.854 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -66.83 -13.5 61.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 53.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -93.13 154.85 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.884 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.2 t -74.99 160.54 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 60.34 110.838 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.58 -29.32 51.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.45 110.919 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -74.24 -33.5 63.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 61.22 110.842 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' NE2' HG23 ' A' ' 5' ' ' ILE . 19.0 mt-30 -70.07 -48.0 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 62.55 110.901 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.722 ' CD2' HG11 ' A' ' 106' ' ' VAL . 3.7 mt -62.32 -20.91 64.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 73.12 110.906 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -70.7 -21.24 62.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.88 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' HB2' HD11 ' A' ' 5' ' ' ILE . 28.0 mm-40 -61.51 -46.57 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 72.21 110.889 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.613 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.7 mp -58.93 -36.85 63.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 61.22 111.131 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.33 -37.59 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.894 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -10.91 55.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 65.44 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.9 mm -103.58 -14.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 63.42 111.092 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.613 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -90.16 -25.72 20.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.23 110.894 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -70.29 118.77 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 62.41 110.867 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.52 8.45 31.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.43 110.88 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -138.05 -0.55 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.873 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 52.81 20.61 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.895 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 p -69.8 -25.56 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 71.33 110.845 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 120.32 -14.72 10.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.767 -0.73 . . . . 70.41 112.473 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -133.28 166.87 21.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 72.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.4 mt -117.67 95.98 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.189 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.66 176.38 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.9 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -61.59 -33.5 74.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.889 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -60.85 -17.99 53.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 75.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.85 -19.32 10.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 71.12 110.87 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.549 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -71.94 -29.11 63.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 63.14 110.921 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 7.3 ptpt -61.94 -24.48 67.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 70.02 110.934 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 76' ' ' VAL . 23.4 m-85 -92.13 21.61 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.948 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.6 t80 -56.45 -26.32 53.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 65.11 110.923 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER -88.29 -12.1 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.897 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.17 13.24 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 63.14 110.886 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -109.85 -31.1 7.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.848 -179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -94.73 -23.5 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 15' ' ' LEU . 2.9 tp10 -116.07 -29.34 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 45.35 110.839 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.4 t 63.45 57.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.865 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.52 -18.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 53.24 112.461 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.79 179.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 61.23 111.055 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ptm85 -74.04 175.62 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.905 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -98.58 -167.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 64.43 111.125 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.869 HD21 HD21 ' A' ' 67' ' ' LEU . 46.0 mt -103.76 136.95 42.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 64.41 110.899 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.805 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -76.76 -177.94 4.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.158 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.46 -9.58 54.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 55.35 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.805 ' H ' HG23 ' A' ' 78' ' ' THR . 4.9 t -108.3 -7.6 15.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 55.24 110.903 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.728 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.3 mm-40 -95.67 -60.15 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.5 . . . . 75.15 110.903 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -52.9 -48.73 67.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 72.5 111.168 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -49.69 -47.74 50.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 75.54 110.852 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.724 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.8 m -55.53 -56.86 15.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 71.44 111.117 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -52.21 -47.03 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.83 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.666 HD21 ' HA2' ' A' ' 95' ' ' GLY . 32.4 tp -63.87 -34.7 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.04 110.911 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.45 5.99 42.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.11 111.087 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.93 -16.04 9.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.12 111.124 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.606 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -118.99 -55.96 2.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 71.32 111.126 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.602 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -62.68 -69.79 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.915 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 56.89 15.65 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.861 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.8 p30 -115.88 -11.18 11.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 54.33 110.899 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.37 45.13 49.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.732 -0.747 . . . . 71.01 112.523 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.49 -16.83 14.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.795 0.331 . . . . 62.21 110.844 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.666 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 68.03 10.79 59.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 42.33 112.492 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.62 123.57 12.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 74.34 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.602 HD13 ' OD2' ' A' ' 90' ' ' ASP . 8.3 mm -77.0 150.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 73.12 111.127 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.76 -156.45 7.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 42.11 112.464 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.59 3.69 37.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.722 0.296 . . . . 64.24 111.114 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -116.1 -2.93 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.896 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.506 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 4.8 pt-20 -131.67 6.95 4.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.906 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -95.84 -67.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 72.11 110.906 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -38.25 50.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.1 -32.81 64.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 65.34 110.84 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.606 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -79.56 -15.88 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.45 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.722 HG11 ' CD2' ' A' ' 43' ' ' LEU . 11.9 t -84.6 -78.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.12 111.146 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -61.48 -35.4 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.939 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 64.24 110.858 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.882 0.372 . . . . 75.24 110.849 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -50.75 -62.13 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.5 . . . . 74.4 110.893 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.95 23.05 3.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 72.04 111.12 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -124.25 -4.42 7.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 71.22 110.837 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.44 HG23 ' NE2' ' A' ' 42' ' ' GLN . 5.1 mp -132.61 -64.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 71.23 111.067 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.735 HD13 ' OG ' ' A' ' 33' ' ' SER . 22.7 mt -97.01 157.69 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 63.34 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -77.16 161.23 73.84 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.653 0.739 . . . . 62.22 110.882 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.662 2.242 . . . . 64.31 112.329 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.2 p -53.79 -46.6 71.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.14 110.836 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -58.29 -34.91 71.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 71.14 110.89 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 17.4 mt -76.99 -52.98 15.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 65.24 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.84 -22.76 49.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.13 111.14 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.79 -28.82 24.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 61.51 111.11 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -83.67 -27.11 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.095 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 70' ' ' PHE . 14.0 mt -69.7 -55.38 10.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 73.54 110.925 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.22 -24.99 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.835 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.67 -52.12 57.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.866 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -134.33 39.69 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 73.04 110.888 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -51.94 -36.94 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 71.53 110.909 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.49 149.78 7.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.542 0.687 . . . . 74.4 111.097 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.43 53.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.647 2.231 . . . . 53.21 112.348 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 51.84 28.48 5.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.86 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.55 8.09 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.893 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -132.82 -174.94 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 71.43 110.887 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.96 161.16 29.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.43 110.876 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HB2' ' HE1' ' A' ' 105' ' ' MET . 53.9 Cg_endo -69.74 -19.54 36.07 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.667 2.244 . . . . 63.54 112.362 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -116.13 30.91 7.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 53.55 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -134.94 15.63 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.13 110.858 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -111.96 -18.17 12.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 63.31 110.89 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -76.03 -16.54 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 75.35 110.835 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -80.7 -37.07 31.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.9 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.547 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.4 mp -91.15 -31.63 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 61.33 111.157 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.735 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.8 t -87.8 -70.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 31.4 110.841 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.717 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.53 28.41 1.31 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 63.33 112.513 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.555 ' O ' HD21 ' A' ' 43' ' ' LEU . 41.9 mtp -63.61 -49.14 74.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.775 0.321 . . . . 75.52 110.892 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.434 ' HA ' HG12 ' A' ' 106' ' ' VAL . 84.2 p -53.81 -35.7 61.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.828 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -63.98 -15.29 58.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.938 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.78 156.18 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 54.33 110.893 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.7 t -74.25 163.7 27.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.889 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.71 -16.48 57.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 73.22 110.859 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 m -89.54 -23.58 21.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.483 . . . . 71.1 110.861 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.44 ' NE2' HG23 ' A' ' 5' ' ' ILE . 29.1 mt-30 -80.94 -35.51 32.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 73.02 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD2' HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.64 -19.45 61.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.924 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 4.1 mtmt -71.4 -28.39 63.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.903 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.05 -47.72 83.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 63.41 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.2 mp -61.66 -28.21 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 60.24 111.129 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -23.2 67.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 74.41 110.873 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.68 1.09 20.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 74.54 110.846 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 49' ' ' ILE . 21.8 mm -112.11 -7.82 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.41 111.133 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.642 HD21 ' CZ ' ' A' ' 69' ' ' ARG . 3.6 mp -96.73 -26.65 15.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 72.45 110.877 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -70.65 117.27 11.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 64.33 110.895 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.25 12.27 32.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.858 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -143.7 2.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.822 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 50.71 21.71 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.32 110.912 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 p -71.93 -16.79 62.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 65.13 110.859 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.59 -11.32 42.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.756 . . . . 43.42 112.522 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -132.34 164.41 26.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 70.02 110.864 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.1 mt -118.63 95.27 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 51.4 111.162 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.27 175.06 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 63.12 110.9 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -60.48 -33.95 73.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -60.76 -18.37 54.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 61.14 110.872 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -116.38 -15.82 10.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.867 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -76.43 -29.86 57.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.922 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -62.21 -28.38 69.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 70.3 110.899 179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -76.57 22.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.942 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.529 ' HD1' HD23 ' A' ' 67' ' ' LEU . 7.2 t80 -53.79 -41.2 67.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 75.04 110.906 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.741 ' N ' HD23 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -78.71 -11.45 59.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 74.04 110.915 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.62 4.93 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 71.22 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.642 ' CZ ' HD21 ' A' ' 50' ' ' LEU . 30.9 mtp180 -102.18 -42.73 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 70.11 110.843 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.635 ' O ' HD11 ' A' ' 15' ' ' LEU . 56.0 m-85 -90.87 -26.91 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.25 110.871 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -103.34 -29.77 11.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.894 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t 58.18 62.06 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 32.42 110.838 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 141.72 -12.34 2.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.474 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 71' ' ' GLU . . . -59.79 -175.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 72.04 111.111 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -75.87 176.16 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 63.03 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 1.7 m -104.41 151.65 6.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 70.44 111.152 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB2' ' HA ' ' A' ' 64' ' ' LYS . 79.1 mt -55.77 140.22 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 65.04 110.908 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.845 HG23 ' H ' ' A' ' 80' ' ' SER . 8.9 t -77.31 -175.06 3.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 65.41 111.153 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.95 -4.87 37.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 72.51 111.109 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.845 ' H ' HG23 ' A' ' 78' ' ' THR . 38.0 t -113.57 -6.61 13.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.872 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.631 ' HG2' HG22 ' A' ' 78' ' ' THR . 48.0 mm-40 -95.28 -63.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.877 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.476 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -48.33 -47.87 36.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 62.23 111.126 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -49.48 -46.66 48.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 61.42 110.919 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.564 HG22 ' HG3' ' A' ' 26' ' ' PRO . 26.9 m -55.62 -57.89 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 62.24 111.15 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.477 ' CD1' HD11 ' A' ' 63' ' ' LEU . 11.3 t80 -52.98 -44.36 67.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 75.35 110.945 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.554 HD11 ' OD2' ' A' ' 90' ' ' ASP . 30.2 tp -63.25 -26.7 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 71.54 110.93 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -94.4 3.21 55.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 70.0 111.095 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.65 -17.15 11.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 74.32 111.12 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.685 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.6 -53.85 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 63.41 111.1 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.554 ' OD2' HD11 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -58.11 -67.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.929 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 54.56 15.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -125.05 -18.14 5.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 61.2 110.868 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.48 44.19 22.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 70.51 112.502 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -101.14 -28.56 12.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.837 0.351 . . . . 74.04 110.855 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.06 10.61 68.76 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 72.44 112.482 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.47 128.67 13.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.713 0.292 . . . . 64.04 110.922 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.685 HD12 ' HB3' ' A' ' 89' ' ' ALA . 47.7 mm -83.17 146.56 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 64.23 111.136 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.55 175.58 18.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.727 . . . . 75.25 112.468 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.43 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -80.05 2.26 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.745 0.307 . . . . 75.11 111.092 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -108.76 -9.28 15.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 72.01 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -130.78 9.88 5.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.881 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -91.84 -63.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 71.13 110.851 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.41 55.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 70.01 110.944 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -56.9 -31.96 65.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.15 110.888 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.57 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.5 ppp? -82.46 -11.96 58.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 73.41 110.88 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.683 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.9 t -88.06 -76.93 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 63.21 111.104 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.41 -35.09 79.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 54.41 110.863 -179.776 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.922 0.392 . . . . 73.42 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 5' ' ' ILE . 3.8 tp -95.36 -76.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 71.22 110.888 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 49.47 26.49 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 70.5 111.105 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -120.79 -4.54 9.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.2 110.896 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.718 HD13 HD11 ' A' ' 2' ' ' LEU . 4.9 mp -141.27 -42.56 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 70.44 111.111 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.631 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.0 mt -129.17 159.43 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.88 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.31 160.83 79.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.714 0.768 . . . . 74.15 110.803 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 64.2 112.345 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.8 p -53.51 -46.29 70.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 75.55 110.871 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -59.31 -35.08 73.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 64.41 110.835 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.7 mt -76.23 -52.49 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 65.24 111.146 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -23.19 37.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 54.32 111.062 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.8 -23.87 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 63.01 111.06 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.541 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -93.36 -27.36 16.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 53.3 111.08 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 70' ' ' PHE . 43.7 mt -69.51 -51.69 33.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 65.41 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.9 mtp85 -70.48 -25.91 63.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.883 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.1 -47.76 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.829 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.1 m -129.18 43.61 3.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.911 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.11 -32.19 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 61.33 110.916 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.43 3.41 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 63.51 111.111 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 142.54 48.11 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.669 2.246 . . . . 71.53 112.349 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 t0 57.57 21.97 7.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 61.43 110.893 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.11 -36.86 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 70.4 110.885 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.48 166.62 8.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.86 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.32 151.23 28.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.66 0.743 . . . . 73.42 110.886 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.584 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.76 -13.7 35.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 73.31 112.346 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.35 21.72 10.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 74.42 110.908 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.38 17.14 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 70.11 110.899 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -118.27 -16.55 9.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.877 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -86.19 -9.64 56.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.52 110.868 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -92.25 -33.27 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 71.55 110.902 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -92.76 -26.3 4.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 74.11 111.154 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.631 ' OG ' HD13 ' A' ' 6' ' ' LEU . 6.1 t -96.53 -69.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.843 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 125.85 31.8 0.79 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 64.21 112.452 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.541 ' O ' HD21 ' A' ' 43' ' ' LEU . 54.3 mtp -62.41 -51.17 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 72.03 110.862 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' HG12 ' A' ' 106' ' ' VAL . 80.4 p -54.26 -33.74 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 41.11 110.848 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.94 -14.6 60.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -88.33 -163.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.891 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.3 t -120.69 160.05 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.13 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.39 -48.23 56.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 51.52 110.853 -179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -58.68 -35.16 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 53.2 110.845 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.526 HE21 HG23 ' A' ' 5' ' ' ILE . 13.8 mt-30 -73.31 -48.66 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.924 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD22 HG11 ' A' ' 106' ' ' VAL . 4.5 mt -62.6 -18.15 61.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 51.34 110.923 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -70.2 -25.6 63.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.918 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HB2' HD11 ' A' ' 5' ' ' ILE . 27.5 mt-10 -61.05 -46.23 91.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 71.31 110.905 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 43' ' ' LEU . 2.9 mt -53.63 -39.19 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 72.4 111.142 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.98 -34.76 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.871 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.51 -9.15 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 72.5 110.893 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 19.0 mm -103.1 -18.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 65.53 111.131 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -89.83 -25.68 20.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.916 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -66.18 118.23 9.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.3 110.875 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -104.26 -3.32 24.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 110.92 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -0.52 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 75.15 110.869 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 51.69 21.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.94 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.53 -16.06 63.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.846 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.28 -19.91 14.48 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 72.41 112.447 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -132.18 169.79 15.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 71.42 110.854 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 mt -118.39 104.03 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 72.02 111.125 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.53 162.09 27.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.925 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.5 -30.19 28.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.26 -26.2 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 65.44 110.895 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -111.06 -14.74 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.33 110.886 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -74.89 -29.79 61.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.909 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.6 OUTLIER -61.68 -31.58 71.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.34 110.94 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -81.15 16.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.43 110.913 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -54.97 -32.38 61.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 64.21 110.935 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 77' ' ' LEU . 1.9 mt -81.78 -9.27 59.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 75.24 110.905 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.8 5.33 51.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.889 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -104.82 -30.82 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 63.53 110.854 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.525 ' O ' HD11 ' A' ' 15' ' ' LEU . 51.6 m-85 -103.97 -15.58 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.889 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' HB2' HD13 ' A' ' 15' ' ' LEU . 1.1 tp10 -117.31 -28.43 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 45.21 110.905 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.3 m 51.65 63.97 2.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 61.4 110.861 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.24 -16.0 1.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 54.35 112.448 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.14 -179.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.788 0.328 . . . . 75.4 111.061 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptm85 -80.95 179.71 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.0 m -102.36 150.59 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.134 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.797 HD21 HD21 ' A' ' 67' ' ' LEU . 72.9 mt -55.6 135.79 50.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.897 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.828 HG23 ' H ' ' A' ' 80' ' ' SER . 10.3 t -76.64 -178.51 4.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.34 111.115 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.49 -10.83 55.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 73.12 111.101 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.828 ' H ' HG23 ' A' ' 78' ' ' THR . 26.1 t -108.74 -4.57 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 62.24 110.869 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.741 ' HG3' HG22 ' A' ' 78' ' ' THR . 3.8 mm-40 -99.95 -59.46 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 73.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.596 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 63.01 111.115 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt -54.65 -46.68 74.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.584 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.1 m -58.06 -54.56 45.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.4 111.136 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.74 -47.11 74.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.903 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 90' ' ' ASP . 21.8 tp -64.07 -38.02 89.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 75.45 110.911 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.34 -1.64 46.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.33 111.087 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.96 -18.21 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 63.3 111.099 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.539 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.89 -56.01 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 63.14 111.085 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' LEU . 15.8 t70 -60.33 -71.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 44.13 110.853 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 46.54 24.04 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.886 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.476 ' OD1' ' CG ' ' A' ' 94' ' ' ASP . 22.4 p30 -121.78 -11.99 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.901 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 80.83 54.29 3.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 75.12 112.512 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.476 ' CG ' ' OD1' ' A' ' 92' ' ' ASP . 66.4 m-20 -125.43 -15.49 6.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.82 0.343 . . . . 71.44 110.871 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.404 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 63.75 12.94 49.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 71.23 112.484 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 136.36 26.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.321 . . . . 64.34 110.889 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.539 HD12 ' HB3' ' A' ' 89' ' ' ALA . 34.2 mm -87.4 147.06 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 53.44 111.12 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.83 -178.78 15.54 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 73.23 112.477 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.86 7.46 27.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 60.32 111.088 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -119.66 -5.82 10.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -129.21 3.01 5.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.867 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -86.51 -61.83 1.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.04 110.882 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -37.54 48.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.32 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -30.35 61.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 64.41 110.893 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.509 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -83.41 -16.51 45.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 53.43 110.944 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.794 HG11 HD22 ' A' ' 43' ' ' LEU . 13.9 t -83.14 -78.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.13 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -63.34 -35.47 80.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 53.54 110.866 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.5 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 53.35 110.881 -179.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.8 m . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.887 0.375 . . . . 74.41 110.825 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.987 HD21 HD13 ' A' ' 5' ' ' ILE . 19.5 tp -97.28 -73.23 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 72.32 110.873 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.05 28.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 61.24 111.118 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' HB3' HD12 ' A' ' 5' ' ' ILE . 2.6 t70 -121.22 -4.11 9.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 64.15 110.882 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.987 HD13 HD21 ' A' ' 2' ' ' LEU . 5.3 mp -139.96 -47.84 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 64.54 111.151 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 33' ' ' SER . 15.8 mt -125.81 159.05 33.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.902 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.5 160.89 78.5 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.704 0.764 . . . . 73.25 110.845 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -49.12 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.689 2.259 . . . . 74.24 112.316 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 p -53.85 -46.33 71.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 54.34 110.898 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -59.47 -35.11 73.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 54.33 110.855 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.7 mt -75.95 -52.96 16.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.41 111.146 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB1' HH12 ' A' ' 16' ' ' ARG . . . -56.54 -22.68 34.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 55.1 111.136 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.02 -23.67 35.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 70.14 111.093 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.583 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -94.24 -27.21 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 74.32 111.113 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 71' ' ' GLU . 35.1 mt -69.57 -51.99 30.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 71.1 110.884 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.507 HH12 ' HB1' ' A' ' 12' ' ' ALA . 52.7 mtt85 -72.53 -26.11 61.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.887 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -55.03 -49.37 71.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 75.01 110.854 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.0 m -131.36 38.01 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.879 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.72 -36.52 47.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.4 110.929 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.85 153.3 4.49 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.569 0.699 . . . . 61.24 111.135 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 149.82 67.01 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 71.04 112.348 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 43.01 34.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.42 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 m -113.29 -25.24 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 64.23 110.853 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -104.56 171.17 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.479 . . . . 75.02 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 162.21 59.07 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.65 0.738 . . . . 73.35 110.888 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.573 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.8 Cg_endo -69.79 -10.71 29.19 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.699 2.266 . . . . 74.04 112.308 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' HB1' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -118.7 2.06 11.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 74.14 110.911 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 32' ' ' ILE . 31.0 mmtp -102.9 7.34 39.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 74.01 110.891 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 33' ' ' SER . 9.3 t80 -106.9 -28.45 10.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.847 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -74.76 -8.06 55.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.883 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -88.36 -39.97 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 72.55 110.874 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.583 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.0 mp -86.7 -24.19 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 73.53 111.106 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.653 ' HB2' HD13 ' A' ' 6' ' ' LEU . 83.6 p -96.89 -64.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.842 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.01 0.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 54.44 112.491 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.526 ' O ' HD21 ' A' ' 43' ' ' LEU . 35.3 mtp -72.98 -51.19 19.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 73.12 110.883 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.618 ' HA ' HG12 ' A' ' 106' ' ' VAL . 51.9 p -54.02 -33.24 56.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 52.33 110.885 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -65.31 -14.86 61.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.512 . . . . 71.12 110.896 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -87.31 -164.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.864 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -120.66 155.83 33.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 64.24 110.893 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -48.44 -31.12 5.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.866 -179.815 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 p -70.9 -43.77 67.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 74.45 110.929 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.537 HE21 HG23 ' A' ' 5' ' ' ILE . 10.3 mt-30 -71.78 -33.4 68.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 72.14 110.887 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CD2' HG11 ' A' ' 106' ' ' VAL . 11.2 mt -72.39 -17.07 61.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 72.44 110.907 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -72.22 -32.69 66.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 63.42 110.902 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -55.04 -48.0 74.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.34 110.827 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.2 mt -53.47 -43.79 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.31 111.12 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.46 -38.33 66.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 65.43 110.888 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -14.01 60.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.895 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.417 HG22 ' HE ' ' A' ' 69' ' ' ARG . 26.0 mm -99.6 -14.56 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.127 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.7 OUTLIER -91.87 -25.07 19.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 72.05 110.923 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -70.76 99.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 71.51 110.903 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 7.77 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.843 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.46 -12.74 7.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.85 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 59.85 16.16 5.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.906 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.14 -28.45 61.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.879 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.6 -19.03 5.65 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 62.13 112.529 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -129.23 171.2 12.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 73.44 110.913 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -115.43 77.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.52 111.161 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.94 168.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.847 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.55 -28.95 70.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 72.33 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -63.41 -22.52 66.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 75.42 110.872 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -111.6 -29.84 7.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 74.22 110.886 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.595 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.19 -28.99 67.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 53.41 110.946 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -60.26 -25.84 65.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.897 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.443 ' CD1' HG12 ' A' ' 76' ' ' VAL . 90.7 m-85 -95.66 48.43 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 61.25 110.921 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -83.18 -24.35 32.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.086 -0.506 . . . . 74.43 110.913 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.2 mt -88.29 -3.5 58.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 53.44 110.928 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.67 0.38 55.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 65.31 110.933 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HE ' HG22 ' A' ' 49' ' ' ILE . 5.3 mmm180 -101.03 -30.86 11.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 73.04 110.862 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.425 ' C ' HD11 ' A' ' 15' ' ' LEU . 74.7 m-85 -99.23 -25.8 14.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.3 110.894 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.57 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -107.31 -34.76 7.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 71.54 110.903 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t 62.32 60.94 1.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 74.34 110.873 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.84 -16.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 42.42 112.48 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -176.74 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 51.53 111.126 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ptm85 -83.85 -179.17 7.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 70.41 110.85 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.4 m -96.26 -167.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.42 111.156 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 82' ' ' THR . 60.0 mt -104.46 157.3 17.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 73.21 110.934 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.87 HG23 ' H ' ' A' ' 80' ' ' SER . 13.1 t -104.88 -179.59 3.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 73.51 111.179 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.62 -13.19 39.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 61.41 111.124 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.87 ' H ' HG23 ' A' ' 78' ' ' THR . 41.5 t -101.49 -2.4 30.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 70.02 110.856 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.666 ' HG3' HG22 ' A' ' 78' ' ' THR . 35.9 mt-10 -113.58 -63.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.34 110.857 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.595 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.68 -48.22 63.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.24 111.106 -179.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -56.79 -45.92 81.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 74.01 110.899 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 26' ' ' PRO . 36.7 m -60.21 -56.09 25.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 63.23 111.118 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.42 -48.63 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.859 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.542 ' HA ' HD11 ' A' ' 97' ' ' ILE . 2.2 tp -66.35 -36.35 82.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 62.34 110.941 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.15 0.61 15.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 41.31 111.098 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB3' ' HE1' ' A' ' 105' ' ' MET . . . -111.97 -15.93 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 61.35 111.138 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.664 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -119.09 -55.55 2.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.106 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' ' H ' ' A' ' 92' ' ' ASP . 8.4 t70 -59.96 -70.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.45 110.855 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 55.89 13.53 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.835 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.483 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 5.7 m-20 -104.67 -18.91 14.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 61.35 110.921 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.97 24.2 55.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 74.43 112.435 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.39 -15.69 18.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.87 0.367 . . . . 71.02 110.904 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.14 -5.25 55.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 63.24 112.483 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -117.17 133.68 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.768 0.318 . . . . 75.11 110.909 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.664 HD12 ' HB3' ' A' ' 89' ' ' ALA . 21.2 mm -87.29 144.43 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.5 111.095 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' H ' ' HG3' ' A' ' 101' ' ' GLU . . . -117.7 156.85 15.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.464 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.36 -7.59 32.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.73 0.3 . . . . 43.5 111.085 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 -0.77 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 63.24 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.467 ' HG3' ' H ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -125.43 -3.51 7.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.915 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -79.44 -57.84 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 73.52 110.861 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -36.52 48.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.875 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -56.09 -28.13 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.487 ' HE1' ' HB3' ' A' ' 88' ' ' ALA . 1.5 ppp? -86.52 -17.92 32.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.869 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.778 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -80.79 -78.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 32.51 111.117 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.17 -35.52 79.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 61.02 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 65.25 110.823 -179.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.874 0.369 . . . . 73.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.656 ' N ' HD23 ' A' ' 2' ' ' LEU . 0.5 OUTLIER -132.0 -46.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 64.35 110.936 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 46.31 27.3 0.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 71.34 111.155 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.36 -11.84 12.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 52.32 110.848 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.689 HG23 HE21 ' A' ' 42' ' ' GLN . 5.2 mp -128.06 -61.54 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 60.43 111.168 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.712 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.9 mt -97.33 155.77 16.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 71.12 110.919 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.44 159.83 71.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 33.51 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -49.56 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.734 2.289 . . . . 71.45 112.356 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.7 p -57.2 -31.55 65.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.831 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -73.12 -35.2 66.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 63.44 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.3 mt -77.48 -51.18 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.12 111.089 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.91 -28.76 62.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 64.31 111.12 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.66 -26.02 45.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 62.3 111.082 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HA ' HG21 ' A' ' 32' ' ' ILE . . . -86.71 -44.49 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 52.44 111.087 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 71' ' ' GLU . 15.5 mt -59.28 -48.54 81.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 55.43 110.926 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -71.51 -31.72 67.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.827 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -51.14 -44.16 61.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.33 110.937 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.1 m -137.25 42.69 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 63.12 110.922 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.52 -35.9 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.906 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 145.53 17.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.554 0.693 . . . . 64.42 111.152 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 153.88 68.6 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.712 2.274 . . . . 62.33 112.345 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.6 t0 61.66 17.24 8.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 55.5 110.843 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 m -126.83 1.5 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 73.43 110.849 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.17 165.93 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 74.52 110.9 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.39 147.73 7.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.66 0.743 . . . . 45.3 110.845 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.542 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.73 -32.84 17.93 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.271 . . . . 51.51 112.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 24.62 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 62.24 110.937 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -135.16 18.59 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 63.34 110.895 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.79 -3.25 11.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 72.02 110.856 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -98.86 -12.29 20.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.857 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -87.85 -28.8 21.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.54 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.529 HG21 ' HA ' ' A' ' 14' ' ' ALA . 3.9 mp -99.42 -30.76 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.32 111.111 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.712 ' OG ' HD13 ' A' ' 6' ' ' LEU . 3.5 t -89.09 -68.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 73.52 110.881 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.582 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.65 39.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 72.43 112.46 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HD11 ' A' ' 6' ' ' LEU . 42.7 mtp -72.8 -52.53 14.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.767 0.318 . . . . 60.31 110.886 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.53 ' HA ' HG12 ' A' ' 106' ' ' VAL . 17.2 p -54.03 -33.76 58.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -63.04 -16.87 61.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.496 . . . . 65.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -86.97 -164.53 1.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 63.54 110.873 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -121.25 159.48 25.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 51.32 110.882 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.557 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -54.05 -28.87 41.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 51.13 110.811 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.2 m -77.32 -28.61 53.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 61.35 110.844 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.689 HE21 HG23 ' A' ' 5' ' ' ILE . 12.7 mt-30 -85.56 -34.51 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.23 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.725 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.37 -40.89 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.65 -19.57 40.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 75.24 110.897 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.66 -45.72 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 51.33 110.925 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.4 mt -49.78 -34.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 73.14 111.108 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.48 -40.49 68.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.89 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -14.41 51.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.895 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 49' ' ' ILE . 34.7 mm -99.28 -11.05 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 72.01 111.108 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.552 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -96.66 -26.93 15.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 70.13 110.894 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.47 119.57 11.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 73.21 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.35 18.49 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.14 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.53 6.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.913 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 47.95 23.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 89.2 p -71.12 -14.67 62.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 61.23 110.87 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.38 -10.36 56.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 54.32 112.447 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -142.67 167.66 21.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 74.01 110.834 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.5 mt -118.05 102.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.494 . . . . 74.43 111.129 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.57 164.44 25.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.51 110.922 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.34 -30.16 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.889 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.74 -23.31 64.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 62.54 110.865 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -112.94 -17.86 12.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 71.42 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.65 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.07 -31.22 65.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.916 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.8 ptpt -63.28 -27.11 69.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.12 110.906 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.503 ' CE1' HG12 ' A' ' 76' ' ' VAL . 14.2 m-85 -92.93 35.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 73.11 110.93 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' HB3' HD11 ' A' ' 77' ' ' LEU . 34.2 t80 -69.57 -28.97 66.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.904 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 77' ' ' LEU . 1.4 mt -84.51 -8.31 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.915 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.2 -1.05 54.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.13 110.91 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.6 mtt85 -104.22 -29.98 10.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.901 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' CB ' HD11 ' A' ' 15' ' ' LEU . 16.0 m-85 -100.04 -15.0 18.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.903 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 4.7 tp10 -123.18 -34.92 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 73.43 110.881 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.2 m 61.47 69.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 73.42 110.833 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 145.17 -12.91 1.86 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 43.44 112.467 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.79 -177.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 71.43 111.083 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -81.73 -178.46 6.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 73.02 110.866 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.503 HG12 ' CE1' ' A' ' 65' ' ' TYR . 3.0 m -98.34 -169.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 71.4 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HD21 ' A' ' 67' ' ' LEU . 35.7 mt -104.58 133.65 49.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 61.42 110.914 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 11.9 t -77.18 -178.12 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 44.44 111.164 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.71 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 75.41 111.075 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 11.0 t -102.78 -9.1 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.32 110.827 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.651 ' HG3' HG22 ' A' ' 78' ' ' THR . 42.2 mt-10 -99.43 -61.34 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 61.53 110.922 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.65 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -55.76 -49.35 73.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.157 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -51.49 -45.96 62.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.907 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.542 HG22 ' HG3' ' A' ' 26' ' ' PRO . 37.7 m -55.69 -54.11 48.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 62.5 111.134 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.04 -50.68 63.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.939 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 16.5 tp -63.8 -35.78 81.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 75.23 110.928 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.9 4.65 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.085 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -118.19 -15.7 9.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 73.2 111.078 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.75 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -120.98 -55.58 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 73.22 111.109 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.572 ' OD2' HD13 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -63.48 -70.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.912 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 56.68 15.24 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.85 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.4 -10.57 14.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 72.53 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.46 20.1 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 60.04 112.515 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -82.05 -39.22 23.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 70.24 110.871 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.82 14.89 60.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 24.43 112.445 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.32 120.24 8.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 70.22 110.844 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.572 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.5 mm -70.75 149.47 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 55.35 111.12 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.85 -157.22 8.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 73.33 112.504 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.52 5.24 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 72.03 111.091 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -117.77 -8.62 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 55.41 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -124.0 1.81 8.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -87.71 -68.21 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 71.4 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -37.12 42.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.904 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.14 -31.61 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 61.44 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -82.19 -15.62 52.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 54.31 110.902 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.725 HG11 HD22 ' A' ' 43' ' ' LEU . 15.5 t -83.27 -78.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 73.1 111.141 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -61.11 -35.11 76.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 75.43 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 71.34 110.855 -179.776 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.43 ' H1 ' ' HA ' ' A' ' 70' ' ' PHE . 26.3 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.871 0.367 . . . . 74.45 110.824 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.725 HD22 ' H ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -54.12 -45.22 71.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 64.12 110.9 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 57.05 18.35 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 62.23 111.117 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.49 -10.46 8.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.846 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.57 HG23 HE21 ' A' ' 42' ' ' GLN . 4.7 mp -120.7 -38.76 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 64.2 111.147 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.669 HD13 ' OG ' ' A' ' 33' ' ' SER . 6.7 mt -136.55 158.35 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 62.14 110.933 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.482 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.21 159.24 80.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 62.01 110.895 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -30.5 22.09 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.724 2.283 . . . . 62.42 112.309 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -70.35 -47.18 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.3 110.877 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.84 -31.14 70.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 61.14 110.858 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 7' ' ' SER . 18.7 mt -80.41 -51.99 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.02 111.109 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.62 54.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.066 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.52 -28.17 59.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.06 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -84.91 -45.8 11.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 62.41 111.084 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 ' C ' ' A' ' 70' ' ' PHE . 14.0 mt -56.82 -49.69 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.41 110.883 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.62 -31.85 67.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.842 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -53.28 -40.89 65.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 74.52 110.898 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.6 m -138.59 43.87 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 62.44 110.895 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.35 -35.15 78.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.33 110.907 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.86 152.69 5.04 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 53.34 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 142.84 49.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 73.31 112.351 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 41.4 t0 52.06 28.47 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 65.02 110.889 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 m -115.74 1.15 13.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.88 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -124.64 -177.12 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.31 110.929 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.55 161.21 32.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.698 0.761 . . . . 61.15 110.82 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.736 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.88 -21.76 32.5 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.684 2.256 . . . . 72.44 112.308 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.67 33.22 5.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 74.3 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -133.48 17.54 3.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 61.22 110.886 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.13 -9.37 12.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.12 110.909 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -89.85 -16.84 29.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 62.22 110.908 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.33 -38.16 27.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 72.32 110.887 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.03 -30.87 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 60.44 111.121 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.669 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.9 t -90.94 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 63.2 110.903 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.18 41.67 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 71.13 112.485 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.58 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.9 mtp -73.51 -50.54 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.766 0.317 . . . . 61.33 110.897 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -33.67 55.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.869 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.53 -19.37 56.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 71.01 110.897 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -85.46 -160.97 0.55 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.891 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.8 t -120.32 179.23 4.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.877 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.73 -6.0 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.86 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -99.93 -15.12 18.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 61.52 110.856 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.57 HE21 HG23 ' A' ' 5' ' ' ILE . 11.1 mt-30 -97.57 -36.2 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.932 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.889 HD22 HG11 ' A' ' 106' ' ' VAL . 3.2 mt -72.76 -21.55 60.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.42 110.909 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.1 ptmm? -70.35 -26.1 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 75.34 110.898 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -61.14 -46.82 88.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 74.51 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG22 ' CD1' ' A' ' 50' ' ' LEU . 2.7 mp -54.61 -39.32 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.01 111.117 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -38.43 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.25 110.875 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -14.08 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.14 110.83 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.714 HG13 HD12 ' A' ' 2' ' ' LEU . 23.7 mm -98.97 -14.51 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.32 111.098 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.6 OUTLIER -93.16 -25.58 17.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 51.44 110.963 179.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -67.36 93.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 63.53 110.892 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.87 6.25 25.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 63.23 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.11 -13.53 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 74.51 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 60.0 16.29 5.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 51.23 110.897 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.29 -37.89 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.881 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.21 -12.43 3.83 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.697 -0.763 . . . . 72.31 112.454 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -132.27 168.72 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.828 0.347 . . . . 75.13 110.878 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.434 HD13 ' CB ' ' A' ' 50' ' ' LEU . 32.5 mt -115.76 77.06 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 54.31 111.161 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 175.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.893 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -65.09 -31.25 72.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.22 110.859 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -62.01 -21.34 64.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 61.3 110.818 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -111.6 -29.32 7.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.668 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.42 -43.92 92.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 52.11 110.902 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.9 ptpt -48.71 -28.98 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 65.35 110.891 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.415 ' CD1' HG12 ' A' ' 76' ' ' VAL . 54.9 m-85 -93.4 44.54 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 74.54 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 67' ' ' LEU . 35.6 t80 -79.34 -30.92 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 63.2 110.864 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.451 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.3 mt -82.83 -4.07 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 71.3 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.19 2.03 56.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 62.05 110.905 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.45 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -103.5 -31.14 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 51.12 110.897 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' C ' HD11 ' A' ' 15' ' ' LEU . 32.7 m-85 -97.28 -22.52 16.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -113.17 -34.91 5.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 65.33 110.894 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 t 64.38 60.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 32.23 110.857 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.72 -15.05 1.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 53.32 112.477 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.88 -178.98 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 72.12 111.076 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -77.71 -179.0 5.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.912 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.7 m -100.48 -166.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 60.41 111.169 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.553 ' HB2' HG23 ' A' ' 82' ' ' THR . 44.2 mt -104.11 137.19 42.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 64.43 110.896 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.829 HG23 ' H ' ' A' ' 80' ' ' SER . 10.6 t -76.4 -178.7 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 63.3 111.153 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.36 -9.15 52.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 64.34 111.145 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.829 ' H ' HG23 ' A' ' 78' ' ' THR . 13.6 t -105.31 -8.53 18.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.814 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.621 ' HG2' HG22 ' A' ' 78' ' ' THR . 72.9 mm-40 -99.14 -60.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.854 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.668 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.41 -49.02 62.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 63.41 111.128 -179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mttp -54.9 -48.93 72.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.889 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.736 HG22 ' HG3' ' A' ' 26' ' ' PRO . 30.6 m -57.02 -56.9 15.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 55.24 111.129 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -51.03 -45.83 61.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.659 ' HA ' HD11 ' A' ' 97' ' ' ILE . 5.9 tp -66.78 -36.2 81.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.939 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.29 3.3 15.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 51.31 111.097 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -115.59 -15.71 11.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 75.12 111.146 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.736 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -117.88 -54.93 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.41 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 29.8 t70 -58.65 -71.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.897 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 59.76 9.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 74.04 110.845 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.486 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.5 m-20 -105.12 -18.48 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 73.52 110.896 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.437 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 81.8 15.65 74.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.733 . . . . 51.42 112.49 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -83.58 -33.04 25.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 73.42 110.853 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.422 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 96.87 -8.66 65.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 74.52 112.515 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 132.63 55.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 62.31 110.856 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.736 HD12 ' HB3' ' A' ' 89' ' ' ALA . 22.4 mm -79.42 143.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 74.43 111.138 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.51 157.37 15.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 61.11 112.516 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.13 -4.53 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.765 0.317 . . . . 42.44 111.12 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 69.3 tt0 -101.84 -20.29 14.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 63.53 110.926 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -113.78 -3.94 13.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.894 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.455 ' HD1' HG21 ' A' ' 97' ' ' ILE . 79.1 t80 -72.35 -68.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 75.31 110.906 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.81 -34.58 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.894 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -55.97 -28.57 57.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 73.04 110.908 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.7 ppp? -83.94 -18.02 38.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 74.13 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.889 HG11 HD22 ' A' ' 43' ' ' LEU . 16.6 t -79.71 -77.75 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 64.44 111.143 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -63.84 -35.15 79.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.88 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.887 -179.838 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 65.33 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.652 HD12 HG13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -50.38 -62.96 1.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 70.52 110.956 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.36 22.41 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 74.14 111.125 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.25 -4.41 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 63.13 110.83 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.5 -39.65 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 65.25 111.117 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.661 HD13 ' OG ' ' A' ' 33' ' ' SER . 5.9 mt -130.8 158.53 39.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.927 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.26 160.44 77.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 73.12 110.853 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -49.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.723 2.282 . . . . 55.41 112.335 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 p -53.15 -46.53 68.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 74.23 110.839 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -58.81 -34.81 71.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 63.43 110.922 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 20.5 mt -76.53 -51.02 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.149 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -24.54 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.11 111.098 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.52 -22.61 47.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 64.21 111.101 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.697 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -92.88 -45.39 8.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 71.11 111.117 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD11 ' C ' ' A' ' 70' ' ' PHE . 36.0 mt -54.83 -50.85 67.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.919 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtp-105 -71.4 -31.87 67.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.53 110.846 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -53.62 -39.91 65.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 72.33 110.875 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.8 m -139.71 45.46 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 74.2 110.848 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -64.48 -33.07 75.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 71.24 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.58 147.03 8.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 53.41 111.058 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 141.21 44.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 72.4 112.372 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.9 t0 60.45 18.45 8.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 64.3 110.853 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.15 18.11 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 73.21 110.868 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -129.89 162.91 27.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 71.03 110.889 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.05 160.7 61.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.636 0.732 . . . . 70.11 110.85 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.57 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.1 Cg_endo -69.74 -15.15 37.02 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 71.45 112.372 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.74 12.55 24.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.875 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -105.88 15.79 26.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 63.21 110.881 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.37 -3.3 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.871 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -102.93 -11.08 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 63.43 110.863 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -92.61 -30.07 15.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.908 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.697 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 4.0 mp -98.47 -26.63 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 70.41 111.123 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.661 ' OG ' HD13 ' A' ' 6' ' ' LEU . 4.6 t -96.22 -69.53 0.75 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.04 30.3 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 41.34 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.521 ' O ' HD21 ' A' ' 43' ' ' LEU . 60.4 mtp -60.41 -53.53 56.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 73.11 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.632 ' HA ' HG12 ' A' ' 106' ' ' VAL . 6.6 m -53.98 -33.56 57.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 70.43 110.875 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -63.99 -15.94 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 74.15 110.855 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -85.84 -161.44 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.4 t -120.27 157.16 29.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.837 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.52 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.28 -30.03 16.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.857 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -74.51 -36.98 63.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 64.01 110.876 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -75.62 -31.1 59.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.487 . . . . 61.33 110.903 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.754 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.7 mt -76.89 -14.66 59.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 62.04 110.919 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -69.88 -42.45 73.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 63.12 110.85 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -49.85 -47.12 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 63.24 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.8 mt -51.03 -45.85 29.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 64.02 111.117 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.55 -36.85 67.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 64.41 110.904 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -13.99 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.868 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.652 HG13 HD12 ' A' ' 2' ' ' LEU . 21.9 mm -99.45 -12.95 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 64.25 111.107 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.13 -24.86 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.12 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -69.64 94.92 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 72.54 110.885 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.82 7.21 27.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 60.31 110.876 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -122.86 -13.78 7.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.42 110.86 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 60.97 15.6 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.919 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.43 -37.08 63.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 61.41 110.845 -179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.52 -14.31 3.94 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.752 . . . . 24.45 112.479 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -132.86 170.8 14.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 74.31 110.904 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.1 mt -116.5 83.9 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 71.15 111.106 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.59 158.31 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 73.52 110.906 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 86' ' ' LEU . 21.3 mt-10 -53.59 -26.54 22.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 70.13 110.869 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -65.85 -25.95 67.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 61.31 110.881 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -109.31 -27.21 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.928 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -59.48 -27.96 66.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 64.41 110.966 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -63.06 -13.05 31.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 61.54 110.89 179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.23 40.75 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 64.13 110.912 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -81.47 -19.98 41.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.2 110.842 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 77' ' ' LEU . 5.1 mt -93.25 -5.55 49.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 63.14 110.928 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.34 3.18 55.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.895 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -102.52 -35.56 8.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.912 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.499 ' C ' HD11 ' A' ' 15' ' ' LEU . 50.4 m-85 -95.75 -25.44 16.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.52 110.908 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.481 ' HB2' HD13 ' A' ' 15' ' ' LEU . 11.5 tt0 -107.96 -35.99 6.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.9 t 61.03 63.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 75.22 110.87 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 149.01 -15.69 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 41.41 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.75 179.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 74.24 111.084 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -79.52 179.43 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.89 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -101.91 150.85 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.173 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.533 HD21 HD21 ' A' ' 67' ' ' LEU . 45.0 mt -56.33 132.3 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.03 110.901 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.85 -178.23 4.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 71.21 111.14 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.84 -10.52 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 75.15 111.116 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 9.1 t -106.57 -10.22 16.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 72.04 110.804 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.566 ' HG2' HG22 ' A' ' 78' ' ' THR . 28.9 mm-40 -94.76 -61.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 63.44 110.859 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -51.4 -47.89 62.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 64.54 111.126 -179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -49.34 -45.93 46.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 74.03 110.957 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.57 HG22 ' HG3' ' A' ' 26' ' ' PRO . 21.7 m -61.72 -60.78 3.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 70.03 111.121 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -50.99 -37.88 47.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 54.42 110.889 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD21 ' HA2' ' A' ' 95' ' ' GLY . 60.8 tp -73.95 -35.58 64.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.897 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.72 21.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 53.11 111.071 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.94 -16.31 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 51.13 111.034 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.68 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.66 -55.54 2.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 71.02 111.115 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD2' ' N ' ' A' ' 93' ' ' GLY . 28.3 t70 -58.98 -73.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 63.53 110.896 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 59.58 10.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 71.13 110.875 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.484 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.1 m-20 -106.11 -15.29 14.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.834 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.432 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 74.73 43.14 29.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 63.4 112.48 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -114.7 -31.73 6.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.35 . . . . 73.3 110.85 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.67 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 97.17 -8.57 64.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 42.25 112.506 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.31 134.68 55.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.728 0.299 . . . . 75.01 110.874 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 89' ' ' ALA . 32.5 mm -86.91 143.38 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.24 111.156 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.91 174.33 15.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.793 -0.718 . . . . 62.24 112.521 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.4 2.75 30.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 70.24 111.124 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -112.0 -10.5 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 72.54 110.874 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' OE2' ' HA ' ' A' ' 97' ' ' ILE . 3.8 pt-20 -123.58 4.41 8.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 73.32 110.89 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -86.97 -67.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 70.43 110.869 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.52 -36.24 33.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.878 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.92 -32.58 63.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.89 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB3' ' HA ' ' A' ' 89' ' ' ALA . 1.8 ppp? -79.5 -16.62 55.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 72.14 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.754 HG11 ' CD2' ' A' ' 43' ' ' LEU . 17.8 t -81.99 -78.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 61.24 111.095 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.11 -35.68 81.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.897 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 64.01 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.682 ' C ' HD13 ' A' ' 2' ' ' LEU . 2.9 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.924 0.392 . . . . 74.54 110.844 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 1' ' ' SER . 0.0 OUTLIER -109.57 -57.39 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 73.35 110.912 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.01 23.12 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 74.25 111.128 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -122.42 -6.69 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 73.35 110.86 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.94 -42.93 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 63.2 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.605 HD21 ' C ' ' A' ' 34' ' ' GLY . 19.8 mt -126.44 157.85 37.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 75.41 110.963 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.408 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.56 161.4 74.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.689 0.757 . . . . 60.13 110.846 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.28 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.712 2.275 . . . . 64.21 112.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -53.15 -46.38 68.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 53.3 110.879 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -58.02 -35.31 71.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 75.02 110.898 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -77.16 -51.97 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.45 111.155 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.31 -34.0 70.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.094 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.34 -29.96 65.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 65.54 111.077 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -83.31 -44.57 14.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 55.43 111.115 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD11 ' C ' ' A' ' 70' ' ' PHE . 17.3 mt -56.44 -46.69 80.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 72.03 110.905 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -74.76 -31.74 61.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 72.34 110.903 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -52.32 -39.57 60.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.866 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 96.5 m -138.69 39.43 2.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 33.05 110.897 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -52.81 -37.36 59.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.916 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -53.73 155.32 5.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.575 0.702 . . . . 63.14 111.087 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.69 150.46 68.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 62.31 112.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 43.94 33.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 65.51 110.868 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.9 p -112.13 -13.82 13.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 63.41 110.826 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CZ ' HD11 ' A' ' 67' ' ' LEU . 27.9 p90 -114.47 -174.98 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 72.33 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.84 161.72 28.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 75.32 110.898 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.532 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.83 -15.27 36.75 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.681 2.254 . . . . 63.34 112.32 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.14 24.0 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 73.34 110.875 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -132.16 9.72 4.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.912 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 -32.08 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.886 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -69.25 -11.27 60.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 72.01 110.905 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -81.48 -40.31 23.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.52 110.897 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -87.38 -30.74 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.21 111.116 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.507 ' HB2' HD13 ' A' ' 6' ' ' LEU . 80.5 p -85.44 -70.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.869 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.605 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 123.56 39.22 0.51 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.738 . . . . 63.32 112.509 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.532 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.3 mtp -74.96 -49.22 20.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 54.45 110.863 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' HA ' HG12 ' A' ' 106' ' ' VAL . 56.9 p -53.32 -32.87 51.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.03 110.857 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -63.66 -15.78 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 61.5 110.901 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.63 164.2 13.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 73.44 110.855 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.3 t -73.9 -177.8 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 52.55 110.847 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.17 1.04 38.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 64.52 110.818 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.7 m -107.0 -30.95 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 64.44 110.877 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -73.31 -25.15 60.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.818 HD22 HG11 ' A' ' 106' ' ' VAL . 5.0 mt -80.64 -19.35 45.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 73.24 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -71.64 -32.38 67.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 73.35 110.858 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -53.08 -48.5 67.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 64.14 110.852 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 46' ' ' ILE . 3.3 mp -68.19 -36.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 71.51 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -55.67 -39.76 71.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.903 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -9.33 52.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 72.31 110.887 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.597 HG22 HH21 ' A' ' 69' ' ' ARG . 40.0 mm -96.28 -13.69 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 64.32 111.141 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.1 -25.02 22.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.901 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -64.29 94.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.871 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.33 7.85 26.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.866 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -123.49 -12.24 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 51.01 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 59.21 16.64 5.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 75.21 110.919 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.46 -34.87 60.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 51.13 110.86 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.19 -15.1 4.53 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.732 . . . . 50.14 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -132.11 171.1 14.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.817 0.342 . . . . 74.13 110.874 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 33.1 mt -115.87 79.31 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 70.11 111.107 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 96' ' ' LYS . 0.3 OUTLIER -54.13 170.59 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.878 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.9 -30.99 71.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.07 -23.62 66.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 64.44 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -110.24 -27.71 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 73.01 110.864 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -60.15 -30.7 69.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.916 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -60.92 -30.93 70.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 64.31 110.865 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.8 16.16 1.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 64.25 110.906 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -55.46 -30.81 61.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.507 . . . . 74.43 110.885 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 77' ' ' LEU . 2.2 mt -82.95 -9.64 59.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 44.03 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.13 8.59 39.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 72.14 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.597 HH21 HG22 ' A' ' 49' ' ' ILE . 5.9 mmm180 -106.14 -31.1 8.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.53 110.857 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.468 ' C ' HD11 ' A' ' 15' ' ' LEU . 31.5 m-85 -96.16 -27.85 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.877 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' HB2' HD13 ' A' ' 15' ' ' LEU . 6.2 tp10 -109.87 -32.99 6.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.884 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t 64.15 59.56 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.858 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.32 -18.57 0.7 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 54.22 112.513 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.11 -179.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.722 0.296 . . . . 71.13 111.119 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -78.27 175.99 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.889 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 64' ' ' LYS . 2.0 m -99.1 152.78 4.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 72.21 111.1 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.727 HD21 HD21 ' A' ' 67' ' ' LEU . 81.4 mt -55.63 138.88 46.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 70.11 110.905 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.806 HG23 ' H ' ' A' ' 80' ' ' SER . 8.8 t -77.16 -177.12 4.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 73.21 111.143 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.63 -7.97 48.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 52.43 111.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.806 ' H ' HG23 ' A' ' 78' ' ' THR . 46.9 t -111.75 -6.02 14.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 71.12 110.832 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.538 ' CG ' HG22 ' A' ' 78' ' ' THR . 10.5 mm-40 -95.75 -61.77 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.87 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.491 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -50.47 -47.73 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 53.04 111.114 -179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -49.95 -54.57 18.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 61.1 110.837 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.532 HG22 ' HG3' ' A' ' 26' ' ' PRO . 24.6 m -51.55 -55.67 17.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 63.43 111.184 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CD1' HD11 ' A' ' 63' ' ' LEU . 8.1 t80 -51.71 -44.22 63.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.23 110.883 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.7 tp -68.04 -25.01 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 71.11 110.913 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.91 0.08 56.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 73.3 111.132 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.86 -18.12 9.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.54 111.089 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.71 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -128.85 -12.22 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 62.21 111.128 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.594 ' HB2' HD13 ' A' ' 97' ' ' ILE . 25.9 t70 -133.18 24.37 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 34.25 110.905 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.95 -14.91 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.84 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 10.1 p30 -61.69 -27.67 68.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.893 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.41 43.32 4.95 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 73.52 112.48 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -104.32 -30.54 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 75.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.22 15.83 58.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 71.31 112.479 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -157.46 135.11 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 62.31 110.935 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.71 HD12 ' HB3' ' A' ' 89' ' ' ALA . 43.9 mm -80.48 147.46 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 64.13 111.133 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -126.31 175.47 17.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.673 -0.775 . . . . 43.13 112.46 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.34 7.01 17.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 75.13 111.126 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -117.59 -12.69 10.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 72.42 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -121.43 -2.57 9.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 70.2 110.896 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -77.02 -65.58 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 61.53 110.83 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.85 -36.13 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 64.41 110.923 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -56.11 -27.45 53.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 65.13 110.909 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.503 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -87.5 -16.76 33.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 63.13 110.857 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.818 HG11 HD22 ' A' ' 43' ' ' LEU . 16.7 t -81.76 -77.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 74.5 111.146 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.13 -35.48 80.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 70.4 110.907 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 44.51 110.857 -179.812 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.684 ' C ' HD13 ' A' ' 2' ' ' LEU . 7.2 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.868 0.366 . . . . 74.21 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.717 HD12 HG13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -109.02 -57.65 2.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.906 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.41 23.61 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 63.14 111.112 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -124.25 -5.6 7.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.855 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.09 -63.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.32 111.154 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.76 HD13 ' OG ' ' A' ' 33' ' ' SER . 38.4 mt -97.95 156.78 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.921 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -78.69 159.94 73.09 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.708 0.766 . . . . 74.02 110.807 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.53 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.705 2.27 . . . . 32.41 112.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.1 p -53.91 -48.5 70.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.889 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -58.47 -34.84 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 63.34 110.863 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 7' ' ' SER . 25.4 mt -74.65 -52.82 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.1 111.12 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.03 -23.2 31.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 60.44 111.137 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.96 -24.64 35.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 73.41 111.079 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.558 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.73 -24.14 22.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.106 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 70' ' ' PHE . 25.8 mt -69.73 -56.81 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 64.12 110.873 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.99 -23.57 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 73.42 110.854 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -57.38 -51.68 68.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 63.51 110.907 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.7 m -133.24 43.01 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 72.33 110.911 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -58.07 -37.9 75.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.946 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.27 150.44 8.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.642 0.734 . . . . 64.42 111.056 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.57 60.38 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 72.14 112.331 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 25.9 t70 61.4 17.38 8.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 72.44 110.845 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.01 -15.41 13.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 73.43 110.864 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -92.69 166.72 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 65.23 110.881 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.41 156.65 31.88 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 70.12 110.854 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.53 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.1 Cg_endo -69.82 -16.25 37.22 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.22 . . . . 73.42 112.35 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 30.85 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 55.33 110.935 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -135.33 17.63 3.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.9 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -117.15 -22.6 8.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 72.41 110.89 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -78.18 -14.97 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.891 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -85.06 -34.65 22.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 61.41 110.878 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.558 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 2.9 mp -92.83 -29.57 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 71.34 111.146 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.76 ' OG ' HD13 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -94.28 -67.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.87 -179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.654 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 121.87 45.79 0.33 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 63.32 112.491 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.735 ' HG2' HD11 ' A' ' 6' ' ' LEU . 32.9 mtp -73.64 -49.84 24.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 51.53 110.893 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.483 ' HA ' HG12 ' A' ' 106' ' ' VAL . 86.7 p -53.25 -35.24 59.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 61.4 110.852 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -62.36 -19.23 63.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 71.4 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -90.98 150.4 21.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 75.12 110.887 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 47.4 m -73.91 160.83 30.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.657 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.03 -25.77 23.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.873 -179.831 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.7 m -74.79 -36.81 62.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 52.52 110.873 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -74.19 -33.35 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.13 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.717 ' CD2' HG11 ' A' ' 106' ' ' VAL . 2.8 mt -76.24 -14.08 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 64.3 110.957 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -70.53 -42.53 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 74.43 110.865 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -48.42 -45.63 36.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 64.23 110.885 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.657 HD12 ' HA ' ' A' ' 43' ' ' LEU . 6.1 mt -48.95 -45.19 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 74.1 111.087 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 44' ' ' LYS . 2.0 t80 -55.29 -39.15 69.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 71.44 110.866 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -9.55 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.877 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.717 HG13 HD12 ' A' ' 2' ' ' LEU . 27.0 mm -101.79 -19.19 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.15 111.145 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -89.41 -26.28 21.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 62.42 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.19 121.6 14.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 70.11 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.7 p-10 -130.0 3.15 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.875 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 51.36 22.2 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 74.35 110.933 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 p -60.74 -18.16 53.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 54.15 110.838 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 117.29 -16.27 12.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.757 -0.735 . . . . 54.43 112.519 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -144.23 144.88 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.352 . . . . 74.21 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.3 mt -91.76 103.67 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 74.32 111.128 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -77.44 164.23 25.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.43 110.826 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -53.53 -29.68 37.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.14 110.851 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.31 -23.74 66.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 52.41 110.836 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -112.72 -14.89 13.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.922 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -76.61 -29.09 56.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 72.03 110.929 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.05 -12.69 41.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.888 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -102.97 47.71 0.88 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 62.43 110.902 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 69' ' ' ARG . 64.5 t80 -87.72 -21.17 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 73.55 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 HD21 HD21 ' A' ' 77' ' ' LEU . 3.1 mt -97.46 -2.22 42.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.69 5.56 51.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 74.1 110.941 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' HA ' ' A' ' 66' ' ' PHE . 0.2 OUTLIER -110.35 -42.44 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 71.41 110.87 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.588 ' O ' HD11 ' A' ' 15' ' ' LEU . 62.5 m-85 -85.3 -24.12 27.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 74.24 110.901 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -114.49 -25.13 8.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 94.8 p 47.18 77.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.893 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 138.17 -10.19 3.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 74.3 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.0 -175.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.776 0.322 . . . . 63.52 111.136 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -84.94 175.55 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.278 -0.419 . . . . 73.33 110.872 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -98.63 150.84 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 61.05 111.078 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.577 ' HB2' HG23 ' A' ' 82' ' ' THR . 38.2 mt -55.88 131.47 47.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 72.1 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.794 HG23 ' H ' ' A' ' 80' ' ' SER . 10.0 t -76.47 -179.06 4.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 72.24 111.149 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.56 -12.18 50.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.13 111.113 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.794 ' H ' HG23 ' A' ' 78' ' ' THR . 8.7 t -103.78 -11.39 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 54.4 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.69 ' HG3' HG22 ' A' ' 78' ' ' THR . 1.7 mm-40 -94.74 -61.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 51.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -53.74 -48.46 69.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 42.0 111.14 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -50.97 -46.28 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.856 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.53 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.0 m -59.27 -58.61 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 51.14 111.093 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -51.14 -49.21 61.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.938 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD12 ' HB2' ' A' ' 90' ' ' ASP . 5.8 tp -63.82 -37.36 87.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 74.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -78.27 0.01 26.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 71.34 111.082 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -112.73 -16.03 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.12 111.107 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.639 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -116.68 -55.75 2.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 72.23 111.094 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.467 ' HB2' HD12 ' A' ' 86' ' ' LEU . 30.4 t70 -60.09 -72.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.884 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.43 11.03 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.839 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.502 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 1.8 m-20 -105.04 -20.5 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 64.11 110.867 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.09 25.32 49.19 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.787 -0.721 . . . . 55.23 112.49 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -99.89 -21.46 15.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 75.22 110.855 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 76.15 24.27 69.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 72.13 112.469 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -146.48 125.94 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 74.41 110.918 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.3 mm -84.59 149.17 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.112 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.88 -178.34 15.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 72.25 112.478 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.18 7.24 29.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 63.24 111.115 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -117.92 -10.05 10.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.87 -6.8 9.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 75.3 110.874 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -74.43 -67.33 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.872 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -36.19 33.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.918 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -56.21 -29.07 60.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.448 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.4 ppp? -85.19 -17.47 37.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 71.12 110.901 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.717 HG11 ' CD2' ' A' ' 43' ' ' LEU . 15.2 t -81.42 -78.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 73.01 111.143 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -64.17 -35.32 80.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 61.04 110.948 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 44.53 110.86 -179.829 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.876 0.369 . . . . 73.42 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.636 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -50.11 -59.8 3.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.02 110.902 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.3 p 49.48 24.49 1.12 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 74.21 111.152 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -130.52 0.55 4.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.55 110.835 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.25 -68.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 60.33 111.122 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 14.0 mt -97.29 158.63 15.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 70.33 110.938 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.06 161.08 76.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.652 0.739 . . . . 54.45 110.858 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.629 2.219 . . . . 71.42 112.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -46.42 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 54.43 110.876 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -58.6 -34.05 70.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 71.13 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.8 mt -78.0 -52.32 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 63.02 111.087 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.61 -31.16 56.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 60.2 111.115 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -28.12 60.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.4 111.089 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.09 -26.56 22.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.35 111.111 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD11 ' O ' ' A' ' 70' ' ' PHE . 20.0 mt -71.04 -54.86 9.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -71.19 -11.11 60.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.913 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.97 -40.27 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 61.15 110.848 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.88 38.12 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 54.44 110.903 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -60.31 -35.15 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 74.23 110.931 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.06 150.1 11.16 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 62.35 111.128 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.98 67.71 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.678 2.252 . . . . 42.21 112.333 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 42.72 34.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 61.25 110.887 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 m -123.98 8.28 8.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 52.4 110.842 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.66 178.99 6.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.903 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.38 158.24 58.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 72.32 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.674 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.7 Cg_endo -69.74 -11.16 30.29 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 72.15 112.393 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 33.11 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 72.53 110.924 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -134.09 20.06 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 73.52 110.912 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.15 -2.6 11.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 73.11 110.901 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -94.68 -15.2 24.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 62.03 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -84.7 -33.63 23.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.528 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.6 mp -92.5 -31.06 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 65.42 111.171 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 13.4 t -90.12 -70.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 75.33 110.86 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.653 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 126.5 31.77 0.76 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 54.43 112.486 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.647 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.0 mtp -64.89 -49.37 70.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 71.03 110.911 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.518 ' HA ' HG12 ' A' ' 106' ' ' VAL . 60.2 p -53.04 -35.2 59.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.458 . . . . 55.22 110.846 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -63.49 -19.74 65.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 71.21 110.868 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -89.65 152.72 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 51.53 110.882 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.2 m -74.4 163.29 27.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 71.32 110.865 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.678 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -61.97 -19.17 62.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 63.5 110.86 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.9 p -82.88 -22.13 34.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 70.42 110.883 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -92.03 -28.05 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 72.43 110.89 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.736 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -77.42 -20.58 54.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.93 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -74.11 -23.52 59.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.928 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -61.08 -46.63 89.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 73.24 110.887 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.52 -38.02 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.122 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -37.89 68.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 61.11 110.869 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -12.55 56.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.89 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.655 HG22 HH21 ' A' ' 69' ' ' ARG . 16.6 mm -98.69 -12.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.42 111.169 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.57 -25.6 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.22 110.927 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -69.45 118.77 12.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 65.23 110.884 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.66 12.93 24.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 62.12 110.885 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -139.9 0.01 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 71.13 110.873 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 51.78 20.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.952 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 p -71.31 -24.67 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 74.33 110.864 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 119.21 -16.27 10.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.489 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -132.91 169.49 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 75.32 110.859 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.3 mt -117.04 84.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 70.01 111.141 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.85 173.3 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 72.4 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -62.03 -32.59 73.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.858 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -61.23 -19.62 61.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.81 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -114.44 -19.23 11.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 70.04 110.904 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.29 -32.13 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 62.23 110.965 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 0.3 OUTLIER -61.58 -31.57 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 55.24 110.855 179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -79.88 16.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 74.33 110.915 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -54.9 -31.96 60.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 77' ' ' LEU . 1.6 mt -82.4 -8.68 59.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.953 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.48 7.09 46.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 63.41 110.905 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.655 HH21 HG22 ' A' ' 49' ' ' ILE . 5.8 mmm180 -104.54 -30.4 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 73.01 110.878 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' O ' HD11 ' A' ' 15' ' ' LEU . 30.8 m-85 -99.28 -22.55 15.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 15' ' ' LEU . 3.1 tm-20 -113.65 -33.57 5.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 71.41 110.834 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m 62.68 57.86 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 157.4 -21.22 0.41 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 50.13 112.455 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -179.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 75.22 111.108 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -79.04 179.75 7.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 62.32 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.7 m -104.72 150.12 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.063 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.803 HD21 HD21 ' A' ' 67' ' ' LEU . 62.4 mt -56.23 137.01 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 72.31 110.917 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.865 HG23 ' H ' ' A' ' 80' ' ' SER . 9.0 t -76.63 -174.82 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.14 111.146 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.69 -5.21 36.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 60.54 111.042 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.865 ' H ' HG23 ' A' ' 78' ' ' THR . 32.7 t -114.43 -3.45 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.837 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.597 ' HG3' HG22 ' A' ' 78' ' ' THR . 39.8 mt-10 -98.38 -61.49 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 74.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.502 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -49.55 -48.85 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 74.52 111.104 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -50.38 -48.04 56.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.914 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.674 HG22 ' HG3' ' A' ' 26' ' ' PRO . 15.8 m -54.89 -57.71 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 64.22 111.101 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -50.73 -47.65 59.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 72.12 110.934 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 90' ' ' ASP . 8.9 tp -64.03 -36.33 83.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 71.35 110.899 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.48 3.36 40.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.33 111.116 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 -15.16 10.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 72.01 111.134 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.764 ' HB2' ' HE3' ' A' ' 105' ' ' MET . . . -119.65 -57.96 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 72.22 111.138 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.793 ' OD1' HD13 ' A' ' 97' ' ' ILE . 0.8 OUTLIER -62.44 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.858 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 68.13 7.41 5.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 64.54 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.67 -14.81 15.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 71.14 110.864 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.48 20.89 73.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.762 . . . . 71.25 112.473 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.34 -37.7 51.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 71.15 110.849 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.46 21.52 44.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.718 . . . . 63.34 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -158.59 116.95 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 72.3 110.926 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.793 HD13 ' OD1' ' A' ' 90' ' ' ASP . 6.1 mm -63.14 151.38 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.24 111.134 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -136.48 -157.48 7.76 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 72.12 112.511 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.6 3.34 39.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 60.41 111.099 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -117.95 -5.29 11.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 64.24 110.853 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.576 ' O ' ' HB1' ' A' ' 89' ' ' ALA . 7.2 pt-20 -126.9 2.23 6.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.892 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -91.14 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 75.42 110.866 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -37.71 47.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 52.31 110.93 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -56.09 -31.35 63.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.915 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.764 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 1.2 ppp? -82.1 -16.61 49.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 74.45 110.888 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.736 HG11 HD22 ' A' ' 43' ' ' LEU . 15.4 t -82.23 -78.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 61.43 111.128 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -62.84 -35.38 79.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 43.34 110.898 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 73.21 110.847 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.899 0.381 . . . . 64.11 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -49.71 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.923 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.96 20.62 3.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 54.44 111.147 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.44 -0.09 4.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 73.14 110.875 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.456 HD13 ' CD ' ' A' ' 45' ' ' GLU . 5.3 mp -133.41 -38.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 71.21 111.137 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD21 ' C ' ' A' ' 34' ' ' GLY . 2.1 mt -131.82 158.1 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 62.24 110.926 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -76.87 158.98 79.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 75.24 110.902 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -50.53 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 72.31 112.316 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -53.43 -45.23 69.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 64.24 110.848 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -58.03 -44.53 87.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.834 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 HD12 ' O ' ' A' ' 7' ' ' SER . 14.2 mt -68.54 -55.03 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 70.42 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.97 57.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 72.31 111.101 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.66 -23.83 39.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 62.55 111.115 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -88.27 -36.73 16.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 61.4 111.1 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.668 HD13 ' CD ' ' A' ' 71' ' ' GLU . 16.9 mt -61.34 -50.69 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.915 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -69.86 -31.15 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 74.32 110.876 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -52.29 -40.6 62.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.857 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.0 m -139.42 43.39 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 65.21 110.91 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -62.7 -35.65 80.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.915 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.05 150.43 7.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.579 0.704 . . . . 65.13 111.096 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 142.96 49.17 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.74 2.293 . . . . 74.52 112.337 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.0 t70 51.46 29.12 5.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.859 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.03 -21.75 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 55.52 110.857 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.84 176.74 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 73.22 110.884 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.79 158.08 50.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.647 0.737 . . . . 71.44 110.902 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.718 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.4 Cg_endo -69.8 -12.1 32.14 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.63 2.22 . . . . 52.12 112.337 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.95 29.98 6.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.908 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -134.75 14.93 3.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 65.21 110.921 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -112.62 -9.32 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.923 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.9 p90 -94.69 -15.14 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 74.12 110.893 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -82.18 -31.96 30.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 61.22 110.914 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.1 mp -90.58 -38.26 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.24 111.14 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 t -81.31 -74.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.846 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.444 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 132.4 35.23 0.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 74.22 112.49 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.567 ' O ' HD21 ' A' ' 43' ' ' LEU . 32.1 mtp -70.49 -52.04 24.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 74.23 110.854 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.2 p -53.35 -33.9 55.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 75.34 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -62.2 -22.2 65.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.918 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -86.16 -163.01 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.918 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.1 t -120.25 160.74 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.867 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.29 -47.14 55.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.88 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 m -60.62 -25.92 66.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.24 110.814 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -92.33 -15.31 27.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.5 110.906 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.837 HD22 HG11 ' A' ' 106' ' ' VAL . 8.0 mt -96.08 -18.04 20.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 63.41 110.932 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -68.67 -25.12 64.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 54.12 110.915 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' CD ' HD13 ' A' ' 5' ' ' ILE . 1.2 pp20? -55.65 -49.4 73.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.818 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.488 HG22 ' CD1' ' A' ' 50' ' ' LEU . 3.0 mp -47.57 -45.56 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 73.34 111.183 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -55.54 -37.76 68.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.922 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -9.15 49.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.485 . . . . 62.5 110.855 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 HG22 HH21 ' A' ' 69' ' ' ARG . 25.5 mm -105.61 -12.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 62.1 111.12 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' CD1' HG22 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -93.67 -25.69 17.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 72.13 110.874 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -68.89 118.17 11.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.927 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.83 7.13 30.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 65.33 110.853 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.13 -1.51 2.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.88 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 52.6 20.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.3 110.902 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -24.74 64.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 72.32 110.874 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 122.14 -17.33 8.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 71.4 112.503 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -133.43 169.0 17.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.351 . . . . 71.41 110.824 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.407 ' HB ' ' HB ' ' A' ' 97' ' ' ILE . 9.7 mt -117.3 82.85 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.45 111.168 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.44 172.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 73.4 110.921 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.65 -30.83 70.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 70.43 110.887 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -61.52 -18.59 59.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 64.21 110.86 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -115.38 -19.19 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 75.32 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.552 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.7 OUTLIER -73.31 -29.66 62.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 54.04 110.915 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.7 ptpt -61.32 -27.88 68.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.887 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.472 ' CD1' HG12 ' A' ' 76' ' ' VAL . 56.8 m-85 -92.07 23.38 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.935 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -56.97 -28.78 62.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 63.34 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -85.73 -12.08 52.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.927 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.86 7.77 25.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 64.33 110.917 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.492 HH21 HG22 ' A' ' 49' ' ' ILE . 5.2 mmm180 -106.2 -30.43 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' C ' HD11 ' A' ' 15' ' ' LEU . 71.6 m-85 -99.6 -22.36 15.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.859 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.668 ' CD ' HD13 ' A' ' 15' ' ' LEU . 4.2 tp10 -115.28 -19.87 10.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.857 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 p 46.98 61.52 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 64.25 110.892 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 152.28 -17.38 0.79 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 75.31 112.459 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.92 179.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.747 0.308 . . . . 54.43 111.11 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -77.42 175.72 9.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 73.34 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.5 m -95.8 -168.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 54.52 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.019 HD21 HD21 ' A' ' 67' ' ' LEU . 67.9 mt -104.37 137.37 42.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.881 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.841 HG23 ' H ' ' A' ' 80' ' ' SER . 9.9 t -76.74 -176.07 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 71.51 111.13 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.22 -8.71 55.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 72.3 111.094 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.841 ' H ' HG23 ' A' ' 78' ' ' THR . 13.3 t -109.0 -6.41 15.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 52.32 110.89 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.611 ' OE2' HG22 ' A' ' 78' ' ' THR . 32.9 mt-10 -97.03 -60.81 1.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -53.34 -48.95 68.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 62.31 111.145 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.5 mttt -51.41 -46.5 62.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 44.51 110.894 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.718 HG22 ' HG3' ' A' ' 26' ' ' PRO . 27.9 m -56.63 -57.53 11.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.02 111.131 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.24 -50.07 51.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 74.11 110.842 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.65 HD12 ' OD2' ' A' ' 90' ' ' ASP . 3.7 tp -64.74 -32.61 74.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.884 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.16 -3.95 53.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.096 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.23 -13.38 10.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 61.22 111.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.82 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -118.21 -40.67 2.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 50.15 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.65 ' OD2' HD12 ' A' ' 86' ' ' LEU . 3.3 m-20 -93.65 -67.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 62.5 110.908 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 50.63 21.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 75.4 110.819 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -105.43 -16.3 14.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 71.22 110.903 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 88.65 6.4 73.22 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.751 -0.738 . . . . 62.43 112.495 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB3' ' HD3' ' A' ' 96' ' ' LYS . 2.3 m-20 -72.79 -42.69 63.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 74.34 110.871 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.28 57.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.744 . . . . 72.22 112.498 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.402 ' HD3' ' HB3' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -150.08 123.26 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 65.55 110.927 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.649 HD13 ' OD2' ' A' ' 90' ' ' ASP . 7.9 mm -67.57 147.24 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 62.41 111.127 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -128.06 -179.81 16.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 73.52 112.538 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.41 8.52 24.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.765 0.317 . . . . 65.43 111.096 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -124.31 -4.27 7.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 73.24 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.18 9.05 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.909 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -96.11 -64.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 71.04 110.853 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -37.62 46.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.915 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.03 -33.39 64.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 75.54 110.927 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.82 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.3 ppp? -78.07 -17.48 56.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 72.33 110.868 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.837 HG11 HD22 ' A' ' 43' ' ' LEU . 18.7 t -80.15 -77.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.078 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -62.01 -35.16 77.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.955 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 71.42 110.821 -179.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.882 0.373 . . . . 72.41 110.857 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.999 HD21 HD13 ' A' ' 5' ' ' ILE . 18.3 tp -117.96 -72.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 72.1 110.897 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 48.49 27.61 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 62.14 111.127 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.464 ' C ' HD12 ' A' ' 5' ' ' ILE . 0.7 OUTLIER -118.67 -4.81 10.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 64.53 110.852 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.999 HD13 HD21 ' A' ' 2' ' ' LEU . 5.0 mp -139.06 -47.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 65.34 111.144 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 HD21 ' C ' ' A' ' 34' ' ' GLY . 5.4 mt -125.84 158.89 33.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 71.21 110.891 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.75 160.81 78.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.678 0.751 . . . . 74.4 110.862 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.237 . . . . 72.14 112.339 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.8 -46.4 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.21 110.832 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -58.66 -35.2 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 55.02 110.872 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.2 mt -76.78 -51.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 72.23 111.149 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.8 -22.35 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 51.22 111.079 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.63 -22.5 37.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 50.33 111.129 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.626 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -95.74 -29.37 14.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.5 111.108 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD13 ' HB2' ' A' ' 71' ' ' GLU . 44.7 mt -69.42 -54.35 14.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 72.54 110.904 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -69.91 -26.48 64.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.32 110.887 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -53.43 -52.56 59.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.3 m -131.8 40.38 3.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 62.02 110.902 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -52.44 -36.54 54.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.919 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.63 152.81 3.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 72.41 111.056 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.89 68.69 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.227 . . . . 71.23 112.344 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' HB3' HG21 ' A' ' 78' ' ' THR . 4.3 p-10 42.85 34.54 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 74.55 110.828 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.6 -12.28 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.847 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -125.08 140.05 53.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 75.3 110.871 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.33 160.39 29.83 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.748 . . . . 63.51 110.86 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.629 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.75 -15.82 37.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 75.31 112.354 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -115.56 29.64 7.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 61.12 110.921 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 mmtt -127.69 11.18 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 71.32 110.916 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -105.48 -19.18 13.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.886 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -81.6 -4.88 57.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.25 110.863 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -93.18 -36.87 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.914 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.626 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.2 mp -88.12 -26.58 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 62.34 111.104 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.01 -69.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.51 110.878 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.4 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.57 40.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 53.34 112.484 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.55 ' O ' HD21 ' A' ' 43' ' ' LEU . 39.7 mtp -70.93 -48.71 52.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.791 0.329 . . . . 62.14 110.876 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.408 ' HA ' HG12 ' A' ' 106' ' ' VAL . 75.7 p -53.8 -33.87 57.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.846 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -16.81 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 63.32 110.933 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -92.85 159.84 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.903 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -73.47 179.33 4.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -10.16 59.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 72.32 110.844 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.4 m -93.19 -32.1 14.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.45 110.887 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.445 HE21 HG23 ' A' ' 5' ' ' ILE . 18.2 mt-30 -72.32 -35.64 68.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.925 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.728 HD22 HG11 ' A' ' 106' ' ' VAL . 4.0 mt -72.95 -17.49 61.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.959 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HD3' ' HB1' ' A' ' 99' ' ' ALA . 3.8 mtmp? -70.42 -26.3 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.901 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -61.56 -46.79 88.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 43.34 110.87 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.426 HD12 ' HA ' ' A' ' 43' ' ' LEU . 4.8 mt -56.7 -37.36 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.117 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.32 -38.63 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 62.25 110.889 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -12.49 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.4 110.906 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.1 mm -97.12 -16.74 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 62.32 111.146 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.33 -24.98 19.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 71.44 110.907 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -68.51 117.14 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.02 110.865 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.9 0.58 35.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 52.05 110.906 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -134.97 0.77 2.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.852 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 51.75 21.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 65.34 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -69.32 -17.74 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.03 110.839 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 113.46 -16.32 21.9 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.809 -0.71 . . . . 61.53 112.495 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -132.93 166.53 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.855 0.359 . . . . 72.5 110.865 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.7 mt -119.16 105.92 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 72.11 111.106 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.79 168.41 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.22 110.905 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -53.72 -30.28 43.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 50.43 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -62.01 -22.65 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 63.51 110.862 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -113.12 -18.76 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 63.54 110.905 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.4 OUTLIER -72.2 -29.67 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 73.32 110.862 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 5.2 ptpt -62.47 -26.82 68.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 54.44 110.88 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.47 ' CD1' HG12 ' A' ' 76' ' ' VAL . 44.1 m-85 -93.03 23.49 4.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 70.14 110.93 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.414 ' HB3' HD11 ' A' ' 77' ' ' LEU . 47.4 t80 -55.98 -27.83 54.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 74.35 110.901 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -83.37 -17.66 41.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 71.53 110.931 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -83.03 3.7 29.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 62.34 110.929 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.02 -30.62 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.861 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' O ' HD11 ' A' ' 15' ' ' LEU . 55.4 m-85 -105.48 -15.47 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 54.44 110.923 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.707 ' HB2' HD13 ' A' ' 15' ' ' LEU . 5.6 tp10 -115.75 -35.12 4.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 65.15 110.912 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.72 59.46 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 31.33 110.849 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 150.25 -16.37 1.01 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.711 -0.757 . . . . 53.11 112.477 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.563 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.09 174.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 61.15 111.103 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HG3' HD12 ' A' ' 67' ' ' LEU . 1.6 ptp85 -70.46 -173.44 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.86 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -106.68 -167.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.017 HD21 HD21 ' A' ' 67' ' ' LEU . 37.4 mt -103.94 134.56 47.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 72.51 110.922 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.804 HG23 ' H ' ' A' ' 80' ' ' SER . 10.1 t -77.04 -178.67 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 74.31 111.14 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.04 -11.86 58.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 74.52 111.088 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.804 ' H ' HG23 ' A' ' 78' ' ' THR . 42.0 t -104.34 -9.49 18.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 73.32 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' CG ' HG22 ' A' ' 78' ' ' THR . 7.6 mm-40 -96.81 -59.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.24 110.905 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.87 -47.96 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 62.45 111.106 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -50.53 -51.81 44.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 26' ' ' PRO . 16.7 m -52.35 -57.02 11.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 74.54 111.138 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -51.04 -46.55 61.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 64.44 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' ' 90' ' ' ASP . 10.9 tp -67.9 -23.55 65.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 73.15 110.892 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.46 -2.13 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 65.23 111.055 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -116.87 -17.7 10.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 71.11 111.071 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB2' ' HE2' ' A' ' 105' ' ' MET . . . -130.25 -9.71 4.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 65.25 111.104 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.422 ' OD2' HD13 ' A' ' 97' ' ' ILE . 1.3 m-20 -134.33 27.04 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 72.25 110.879 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -48.64 -17.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 60.3 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -60.39 -29.65 69.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 52.04 110.876 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 92.36 18.14 43.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 53.42 112.548 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -74.7 -33.59 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.864 0.364 . . . . 74.23 110.842 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.41 12.09 70.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.749 . . . . 63.41 112.479 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.78 120.29 7.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 72.42 110.877 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' OD2' ' A' ' 90' ' ' ASP . 12.0 mm -69.83 144.81 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 72.4 111.118 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -127.49 179.89 16.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 74.23 112.425 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.427 ' HB1' ' HD3' ' A' ' 44' ' ' LYS . . . -85.93 8.45 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.724 0.297 . . . . 64.13 111.082 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -119.15 -12.11 9.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.42 110.902 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -124.63 9.7 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 71.54 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.411 ' HD2' HG21 ' A' ' 97' ' ' ILE . 40.6 t80 -94.59 -60.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -37.33 66.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 74.23 110.959 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -56.22 -31.61 63.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.12 -0.491 . . . . 73.51 110.885 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.419 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.1 ppp? -81.83 -15.05 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 60.23 110.904 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.728 HG11 HD22 ' A' ' 43' ' ' LEU . 14.9 t -84.37 -78.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.21 111.12 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.39 -35.4 80.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.876 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 63.1 110.875 -179.804 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.944 0.402 . . . . 64.35 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.639 ' N ' HD13 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -50.59 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 64.44 110.936 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 53.72 23.36 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 62.42 111.113 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.68 -3.43 7.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.826 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.456 HG23 ' NE2' ' A' ' 42' ' ' GLN . 4.9 mp -132.67 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.15 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.755 HD13 ' OG ' ' A' ' 33' ' ' SER . 19.6 mt -97.22 158.5 15.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 64.13 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.4 161.06 76.11 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.683 0.754 . . . . 65.25 110.806 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.03 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.709 2.273 . . . . 42.12 112.367 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 p -54.81 -46.51 74.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.894 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -59.75 -34.98 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 72.33 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -75.49 -52.8 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.145 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.4 -27.69 38.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 73.24 111.135 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.97 50.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 72.21 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.509 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -85.78 -45.55 11.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 55.31 111.087 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD11 ' C ' ' A' ' 70' ' ' PHE . 13.8 mt -52.88 -53.28 51.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 64.5 110.952 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -70.27 -31.57 69.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 54.42 110.873 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.21 -39.8 73.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.908 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 p -136.71 46.18 2.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.848 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.08 -36.57 77.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.946 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.63 148.97 23.5 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.529 0.68 . . . . 65.23 111.104 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.81 63.49 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.715 2.277 . . . . 70.13 112.326 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.8 t70 51.32 29.21 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.837 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.79 14.66 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.854 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CE1' HD22 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -131.35 164.63 25.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.897 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 160.72 58.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.728 . . . . 73.24 110.869 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.6 ' HG3' HG22 ' A' ' 84' ' ' THR . 54.0 Cg_endo -69.79 -20.83 34.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 62.52 112.345 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.73 29.81 7.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 74.13 110.886 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -134.99 17.65 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 72.24 110.892 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.16 -9.56 9.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -90.46 -15.14 31.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 73.33 110.853 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -83.56 -33.97 25.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.33 110.937 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.509 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -89.78 -31.19 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.117 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.755 ' OG ' HD13 ' A' ' 6' ' ' LEU . 2.4 t -91.8 -69.56 0.73 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 60.34 110.833 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.676 ' C ' HD21 ' A' ' 6' ' ' LEU . . . 124.82 29.56 1.03 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 55.33 112.51 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.542 ' O ' HD21 ' A' ' 43' ' ' LEU . 58.8 mtp -63.25 -49.02 75.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.801 0.334 . . . . 62.23 110.869 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.672 ' HA ' HG12 ' A' ' 106' ' ' VAL . 8.0 m -54.01 -35.12 61.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 51.52 110.873 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -66.02 -14.01 60.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 74.02 110.85 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -88.84 156.3 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 73.25 110.927 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 m -74.1 164.03 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 75.52 110.889 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -62.36 -17.0 57.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 61.22 110.855 -179.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -87.98 -32.58 18.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 51.35 110.907 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.456 ' NE2' HG23 ' A' ' 5' ' ' ILE . 20.2 mt-30 -73.72 -31.93 63.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 72.45 110.888 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.606 ' CD2' HG11 ' A' ' 106' ' ' VAL . 6.4 mt -75.07 -18.05 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.25 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -70.21 -27.31 64.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.919 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -62.26 -46.77 87.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.905 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.4 mt -58.47 -29.97 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 62.04 111.138 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -65.91 -24.22 66.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 72.3 110.882 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -3.34 38.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 71.53 110.887 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.552 HG13 HD12 ' A' ' 2' ' ' LEU . 26.2 mm -109.36 -14.87 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.115 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mp -91.08 -25.67 19.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 64.44 110.947 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -70.7 117.96 12.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 71.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.88 2.06 34.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 62.21 110.895 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.95 1.27 2.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.13 110.852 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 51.46 21.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.12 110.887 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 p -71.03 -17.36 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.878 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.77 -15.06 29.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 64.25 112.473 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -130.59 162.5 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.824 0.345 . . . . 71.31 110.907 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 mt -117.59 102.6 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 74.32 111.133 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -76.17 164.9 25.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.901 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -53.37 -28.88 31.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.852 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -24.08 67.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 70.53 110.927 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -112.8 -14.27 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.859 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.6 OUTLIER -77.1 -27.17 54.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.941 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -64.19 -11.96 35.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 64.44 110.931 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.438 ' CD1' HG12 ' A' ' 76' ' ' VAL . 13.5 m-85 -97.27 22.22 8.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.892 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.554 ' HB3' HD11 ' A' ' 77' ' ' LEU . 45.8 t80 -56.44 -26.21 52.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.897 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 77' ' ' LEU . 1.3 mt -86.75 -13.35 45.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 55.53 110.893 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.0 14.4 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.45 110.903 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.08 -34.77 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.873 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.62 ' C ' HD11 ' A' ' 15' ' ' LEU . 63.8 m-85 -95.22 -25.32 16.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.905 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -112.09 -32.99 6.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 72.23 110.899 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.2 m 62.65 59.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.838 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 154.66 -19.31 0.59 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.757 . . . . 22.24 112.479 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 179.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 65.42 111.113 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -74.52 179.72 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 73.45 110.908 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 HG12 ' CD1' ' A' ' 65' ' ' TYR . 3.9 m -99.82 -168.6 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.22 111.127 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.723 HD21 HD21 ' A' ' 67' ' ' LEU . 27.2 mt -103.73 138.77 39.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 65.44 110.957 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.822 HG23 ' H ' ' A' ' 80' ' ' SER . 9.4 t -77.12 -176.72 4.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 70.34 111.158 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.39 54.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 63.21 111.079 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.822 ' H ' HG23 ' A' ' 78' ' ' THR . 2.7 t -106.67 -9.15 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 61.15 110.911 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HG3' HG22 ' A' ' 78' ' ' THR . 33.4 mt-10 -96.29 -62.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 70.14 110.909 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -50.67 -47.69 58.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 65.25 111.146 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.3 mttt -48.73 -46.48 40.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.934 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.6 HG22 ' HG3' ' A' ' 26' ' ' PRO . 28.0 m -59.75 -59.87 4.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 74.11 111.109 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -51.53 -48.04 63.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.24 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD21 ' HA2' ' A' ' 95' ' ' GLY . 18.1 tp -63.59 -37.12 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 73.55 110.919 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -80.8 2.91 24.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 60.21 111.13 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -114.01 -16.55 12.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.128 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.618 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -115.43 -55.58 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.43 111.097 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -60.11 -71.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 54.44 110.876 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 58.34 11.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.47 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 2.1 m-20 -105.38 -19.61 13.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.843 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.02 26.44 48.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.747 . . . . 73.04 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' OD2' ' HB2' ' A' ' 92' ' ' ASP . 0.0 OUTLIER -98.47 -35.2 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.874 0.369 . . . . 75.03 110.883 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' HA2' HD21 ' A' ' 86' ' ' LEU . . . 98.54 -7.48 61.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 70.02 112.507 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.46 133.51 55.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.335 . . . . 61.24 110.902 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 89' ' ' ALA . 37.3 mm -87.71 135.1 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 71.43 111.18 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.98 157.96 15.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.759 -0.734 . . . . 73.12 112.502 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.26 -10.64 25.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 51.52 111.095 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.86 -12.05 34.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 70.52 110.892 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -127.12 -1.25 6.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.492 . . . . 71.42 110.882 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -77.11 -71.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.19 -35.11 34.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.53 110.915 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.57 -25.99 60.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.13 110.899 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.42 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 1.7 ppp? -87.61 -18.18 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 55.43 110.891 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 36' ' ' SER . 13.1 t -80.17 -77.44 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 74.52 111.155 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -48.93 -33.37 10.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.918 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 65.13 110.853 -179.805 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.845 0.355 . . . . 72.14 110.865 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.703 HD13 HD13 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -52.2 -70.36 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 53.25 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 52.27 24.35 2.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.138 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -108.03 -11.93 15.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 61.4 110.848 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.703 HD13 HD13 ' A' ' 2' ' ' LEU . 4.9 mp -123.68 -43.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 62.14 111.139 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.707 HD21 ' O ' ' A' ' 34' ' ' GLY . 6.5 mt -128.03 158.24 38.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.941 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.83 160.89 75.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.673 0.749 . . . . 75.2 110.829 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.94 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 74.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 p -55.28 -31.78 61.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 71.4 110.838 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.6 -35.55 60.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 33.51 110.84 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.9 mt -72.29 -54.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 73.33 111.089 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.06 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 62.02 111.065 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.433 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . . . -57.96 -19.91 34.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 40.14 111.107 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.605 ' HB2' ' HB ' ' A' ' 32' ' ' ILE . . . -100.35 -18.26 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.31 111.045 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.708 HD13 ' CD ' ' A' ' 71' ' ' GLU . 18.9 mt -75.22 -57.15 4.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 75.01 110.967 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -75.77 -3.57 35.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.23 110.893 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.31 -39.82 46.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.894 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -134.74 24.73 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.05 110.933 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -49.95 -39.56 40.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.52 110.933 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.14 152.37 4.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 71.24 111.124 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 144.51 53.97 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.724 2.283 . . . . 72.22 112.354 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.98 17.09 8.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.906 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.91 -18.12 12.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 65.05 110.836 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -91.63 161.3 14.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 73.3 110.877 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.78 156.85 36.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.644 0.735 . . . . 74.13 110.863 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.618 ' HG3' HG22 ' A' ' 84' ' ' THR . 53.6 Cg_endo -69.71 -26.74 27.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 72.51 112.357 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 22.38 15.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 61.13 110.896 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -122.65 16.27 10.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 70.45 110.932 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -116.89 -18.31 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.924 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -83.14 -8.98 59.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 64.23 110.89 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -87.11 -39.98 15.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 74.31 110.865 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.605 ' HB ' ' HB2' ' A' ' 14' ' ' ALA . 3.4 mp -87.4 -28.42 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 73.2 111.111 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.665 ' OG ' HD13 ' A' ' 6' ' ' LEU . 5.2 t -95.82 -69.01 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 70.04 110.898 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.707 ' O ' HD21 ' A' ' 6' ' ' LEU . . . 122.03 61.62 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.494 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.606 ' O ' HD21 ' A' ' 43' ' ' LEU . 33.5 mtp -89.16 -51.11 5.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 65.12 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 p -52.81 -33.98 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.817 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.79 -24.78 67.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 71.11 110.897 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -77.35 -162.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.87 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.5 t -120.93 158.33 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 34.53 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.474 ' HA ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -54.41 -26.77 32.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 63.11 110.847 -179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -76.77 -27.86 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 71.42 110.898 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.536 HE21 HG23 ' A' ' 5' ' ' ILE . 13.7 mt-30 -87.43 -33.04 19.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.957 HD22 HG11 ' A' ' 106' ' ' VAL . 3.7 mt -75.92 -21.29 57.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.916 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.82 -16.51 60.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.887 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.45 -46.67 63.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 71.44 110.875 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 43' ' ' LEU . 3.1 mt -51.71 -33.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 72.31 111.085 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -31.2 63.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.878 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -5.53 35.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.857 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.459 HG22 ' HE ' ' A' ' 69' ' ' ARG . 24.1 mm -106.6 -15.01 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.41 111.161 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -25.64 17.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.921 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -67.71 118.85 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 70.52 110.855 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.48 -2.49 28.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.848 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.28 -0.25 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.888 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 51.71 21.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 p -68.79 -17.99 64.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 74.04 110.88 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 116.31 -19.09 13.38 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.743 -0.742 . . . . 64.34 112.534 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -132.57 167.18 20.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.81 0.338 . . . . 55.12 110.922 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.57 101.26 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.34 111.168 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.37 161.47 29.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.892 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.27 -29.62 34.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 71.24 110.851 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.03 -26.28 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -110.74 -17.25 13.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 75.43 110.885 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HB3' HG22 ' A' ' 82' ' ' THR . 0.8 OUTLIER -71.5 -29.8 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 62.4 110.927 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 77' ' ' LEU . 6.0 ptpt -63.12 -16.77 61.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.877 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.414 ' CD1' HG12 ' A' ' 76' ' ' VAL . 36.8 m-85 -100.18 41.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 72.12 110.974 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' HB3' HD11 ' A' ' 77' ' ' LEU . 58.9 t80 -78.6 -22.62 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 63.45 110.925 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 67' ' ' LEU . 5.3 mt -90.19 -3.74 57.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 73.24 110.94 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 0.46 53.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.21 110.887 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HE ' HG22 ' A' ' 49' ' ' ILE . 6.3 mmm180 -101.71 -30.91 11.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.923 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.651 ' O ' HD11 ' A' ' 15' ' ' LEU . 67.0 m-85 -100.58 -18.48 16.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.85 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.708 ' CD ' HD13 ' A' ' 15' ' ' LEU . 6.1 tp10 -116.01 -35.83 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 63.53 110.906 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m 62.15 62.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.853 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.08 -15.13 1.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 55.42 112.507 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' HB2' ' HG2' ' A' ' 71' ' ' GLU . . . -65.43 179.66 0.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 71.01 111.121 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -76.86 -178.15 4.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.911 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 65' ' ' TYR . 4.1 m -100.26 -168.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.094 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' ' 82' ' ' THR . 20.1 mt -103.93 133.38 48.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 70.44 110.928 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 80' ' ' SER . 11.5 t -76.59 179.38 6.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.02 111.158 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.61 54.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 55.03 111.091 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.784 ' H ' HG23 ' A' ' 78' ' ' THR . 38.4 t -101.17 -10.91 19.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 51.42 110.853 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 78' ' ' THR . 10.2 mm-40 -97.95 -59.47 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 64.51 110.883 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.571 HG23 ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -54.83 -48.22 73.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.42 111.111 -179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -49.71 -51.01 41.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 72.13 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 26' ' ' PRO . 25.9 m -51.66 -52.48 47.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 74.42 111.159 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.409 ' CD1' HD11 ' A' ' 63' ' ' LEU . 15.4 t80 -56.8 -44.27 81.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.01 110.87 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HG ' ' HB3' ' A' ' 90' ' ' ASP . 10.4 tp -68.37 -16.15 63.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.872 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -95.76 -16.62 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 71.21 111.125 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -100.43 -17.07 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 72.22 111.088 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.762 ' HB3' HD12 ' A' ' 97' ' ' ILE . . . -124.69 -41.27 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.079 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.522 ' HB2' HD13 ' A' ' 97' ' ' ILE . 29.8 t70 -104.04 26.43 8.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.862 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -49.93 -14.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.864 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -64.45 -28.35 69.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 70.01 110.837 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.46 44.45 4.3 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.782 -0.723 . . . . 63.42 112.444 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.72 -27.44 12.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.873 0.368 . . . . 65.34 110.851 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.0 15.65 60.72 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 71.21 112.495 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.63 133.67 8.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.735 0.303 . . . . 74.11 110.906 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.762 HD12 ' HB3' ' A' ' 89' ' ' ALA . 50.8 mm -75.11 146.02 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 71.34 111.105 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.74 157.1 19.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 63.3 112.476 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.16 -6.38 22.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.751 0.31 . . . . 63.12 111.1 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -101.88 -24.18 14.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -110.84 0.11 17.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 51.15 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -75.88 -67.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -35.47 35.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 75.31 110.908 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -56.48 -27.56 57.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.1 110.918 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.612 ' HE1' ' HB2' ' A' ' 26' ' ' PRO . 1.8 ppp? -85.91 -17.71 34.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.874 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.957 HG11 HD22 ' A' ' 43' ' ' LEU . 17.4 t -79.85 -77.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.32 111.141 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -65.5 -35.38 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 65.24 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 63.12 110.842 -179.773 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_