data_2nbf_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 2nbf _Structure_validation_residue.Date_analyzed 2017-02-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.809 0.338 . . . . 72.33 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -81.94 141.12 33.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.943 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -115.87 135.74 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 61.23 111.12 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.03 -159.77 10.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.534 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.18 153.69 47.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.321 . . . . 71.31 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.99 -168.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.23 110.893 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.0 125.16 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.43 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -15.86 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.861 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -48.16 -60.09 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.876 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.07 12.88 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 75.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.11 114.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -173.03 96.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.99 121.88 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 148.83 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.32 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -170.58 -170.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.973 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.25 52.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.907 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.98 -51.73 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.1 -40.0 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.907 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.48 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.96 18.2 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 71.11 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.78 105.94 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 73.23 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.2 97.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 75.4 110.888 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -122.03 136.25 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 71.5 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.69 151.88 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tp -155.99 135.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -65.11 177.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.856 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.53 79.23 7.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 74.13 110.83 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.61 37.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 75.33 112.295 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -60.69 -65.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 72.24 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 91.9 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.92 -12.14 61.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 71.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -23.62 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.922 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -120.06 34.34 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.893 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 173.94 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.876 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.9 m -59.47 117.11 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.857 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 p -127.35 15.71 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.114 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 160.11 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.924 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -91.74 124.22 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.846 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 62.07 39.32 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -77.14 -170.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.899 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -105.18 110.8 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 19.5 p -143.65 140.4 30.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.904 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -124.6 138.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 75.21 111.153 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -96.25 133.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.27 88.1 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.867 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -63.99 -15.64 59.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.172 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -51.75 -37.68 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.28 22.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.7 t30 51.77 88.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.61 104.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.119 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 p -79.96 160.23 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.32 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -112.37 53.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.854 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 m -61.47 139.4 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.875 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 60.25 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.769 0.319 . . . . 74.21 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -104.79 155.98 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.04 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.31 134.94 54.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.185 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.91 -167.08 22.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.479 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -142.3 150.94 41.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.911 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.14 126.13 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.04 111.149 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -59.93 -17.82 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.905 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -49.74 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.876 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -125.43 12.42 8.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.91 110.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.843 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -169.29 95.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.39 112.4 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.89 150.85 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.874 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -163.86 -171.12 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 60.22 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.57 142.79 51.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.51 -54.74 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -46.65 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.857 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.4 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 111.094 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.19 11.36 2.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 50.34 112.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -68.06 103.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 72.35 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.41 94.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.848 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -111.89 130.26 55.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 71.13 111.124 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.17 128.05 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.5 118.84 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.01 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -61.91 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.924 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.17 79.89 1.71 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 64.43 110.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -17.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.73 2.287 . . . . 73.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -59.3 -65.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.07 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.875 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.25 -25.3 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.858 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.04 15.25 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.896 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -133.38 6.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.917 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 169.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 75.54 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 12.3 m -51.16 118.62 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -123.11 35.38 4.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.44 156.43 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 65.24 110.911 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -88.85 125.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.2 110.866 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 59.47 41.55 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.55 110.858 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -76.24 -171.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 111.88 24.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 63.34 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.37 142.21 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -120.65 125.14 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.111 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.2 t -89.57 144.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.093 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.75 103.74 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.852 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -71.55 -14.38 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.12 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -51.72 -36.72 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.939 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.37 23.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 65.15 110.895 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.35 94.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.12 116.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.074 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -99.84 144.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.136 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -100.96 68.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -51.23 154.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 73.31 110.893 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -120.23 177.49 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.895 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.91 152.77 51.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 65.41 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.26 -160.81 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 72.42 112.478 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 151.16 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 64.32 110.877 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.8 m -95.59 -175.88 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.41 109.84 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 73.44 111.118 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -21.29 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -44.37 -55.5 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.22 21.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.865 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.82 115.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 65.33 110.855 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.51 107.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.04 112.87 24.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 72.05 110.859 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 148.54 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.903 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -165.81 -169.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.004 0.431 . . . . 64.52 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.08 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 72.42 110.889 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.16 -52.98 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 62.31 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -42.92 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.41 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.05 14.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 74.34 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 102.68 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.75 0.31 . . . . 70.32 110.9 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -63.52 93.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.887 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -114.9 124.43 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.44 111.087 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.79 145.48 26.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -160.48 132.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.131 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -56.04 -179.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -110.21 81.0 2.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.722 . . . . 73.12 110.907 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 72.51 112.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.04 -62.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.871 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.33 150.16 27.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -103.36 -28.12 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -118.34 -11.43 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.11 110.858 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.41 20.27 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.901 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -174.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -54.71 142.69 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.843 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 p -152.12 19.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 74.54 111.133 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -144.43 166.16 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.23 119.83 38.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 75.14 110.893 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m120 64.47 45.18 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.1 p30 -85.65 -174.53 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.847 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -95.39 111.23 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -144.76 143.27 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 74.05 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 p -121.96 127.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 72.23 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -90.78 143.44 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.21 121.85 44.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -91.54 44.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 72.54 111.183 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -119.2 -31.7 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.945 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.5 29.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 53.53 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 m120 53.76 84.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.853 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.98 99.66 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 64.34 111.119 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 p -88.72 148.45 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.167 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.64 52.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.85 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.68 138.0 36.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.84 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 73.33 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.16 148.38 31.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.3 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -126.42 129.87 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 74.21 111.15 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 -155.36 7.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 72.51 112.513 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 150.68 40.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 74.01 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.91 -168.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.88 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.6 124.52 19.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.138 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.34 37.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.885 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -49.72 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.14 110.862 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.1 10.87 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 60.02 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.9 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -166.99 96.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -67.96 110.45 3.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 124.41 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.33 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.68 -169.69 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 117.6 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 71.1 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -34.26 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.845 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.48 33.03 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.908 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.29 32.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.092 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.82 -21.04 1.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 61.32 112.475 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 113.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.326 . . . . 73.53 110.89 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.38 93.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 61.21 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -114.55 136.59 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.102 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.3 131.11 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -136.02 118.45 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.04 111.124 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -59.18 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.901 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.83 82.0 2.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 73.44 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -18.44 37.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 75.41 112.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.98 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.9 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.5 142.59 46.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.904 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.07 2.96 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -135.38 14.42 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.902 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -137.7 9.26 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.851 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.2 164.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.866 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.38 117.96 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.8 p -124.75 38.44 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.081 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 156.49 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 73.34 110.896 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.47 123.55 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 70.01 110.871 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 63.33 40.03 8.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -78.43 -169.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.86 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.49 109.9 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.892 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 25.9 p -144.45 126.29 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 61.22 110.909 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -106.13 131.08 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 63.44 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.34 144.2 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.88 119.42 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.852 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -94.94 25.19 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 63.4 111.172 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -105.07 -26.51 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.44 19.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.912 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 51.31 87.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.882 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.69 133.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 55.23 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.87 155.38 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 73.11 111.117 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.24 58.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -53.53 149.48 7.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.851 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.887 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.773 0.321 . . . . 75.31 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.93 152.07 48.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.927 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -116.95 136.16 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 61.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.82 -165.85 21.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 60.44 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 151.81 45.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 71.51 110.845 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 -168.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.865 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.07 124.67 22.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.135 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -18.92 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.54 110.923 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -49.03 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.832 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -124.05 9.19 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.903 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 65.24 118.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -178.69 96.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.918 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.42 109.81 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 146.31 28.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.34 110.895 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.49 -170.6 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.925 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 134.32 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.919 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.07 162.98 31.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.861 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 71.92 -69.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.866 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.03 27.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.129 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.33 6.51 9.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 71.03 112.546 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -68.77 131.58 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 74.45 110.891 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -71.09 116.64 11.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -129.68 129.06 43.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.134 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -104.44 138.39 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.2 tp -156.78 134.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 75.5 111.145 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -83.96 149.98 25.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 107.94 0.89 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 71.2 110.896 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -32.97 17.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 74.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -63.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.895 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.16 143.04 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -102.65 -21.24 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 64.33 110.882 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -10.74 9.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 21.31 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.891 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -67.31 -169.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.01 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 m -51.13 121.03 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.888 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.2 p -125.12 40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 153.34 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.887 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -85.52 121.32 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.888 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.0 t30 60.25 46.05 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -78.48 -172.2 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.91 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 p -145.56 139.9 27.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -120.4 120.89 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.59 139.36 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.155 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.89 120.99 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.865 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -91.0 45.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.98 -35.74 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.949 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 26.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 64.34 110.91 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 52.04 87.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.85 107.82 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 74.34 111.132 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 p -95.34 142.04 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 70.41 111.139 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.88 59.11 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.884 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 p -60.92 135.94 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.91 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.886 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.827 0.346 . . . . 74.43 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -85.06 135.68 33.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.91 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.8 m -104.44 129.93 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.164 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -158.68 8.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 74.41 112.54 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 158.46 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.97 -168.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.897 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.47 126.42 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.54 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -17.08 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.63 -57.84 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.896 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -151.34 20.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 73.12 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.27 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -162.41 85.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.66 115.62 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 148.81 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.889 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -165.27 -173.43 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.939 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 144.21 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 75.31 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -74.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.52 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.88 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.846 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.8 53.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.3 -10.62 26.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 73.41 112.522 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -52.14 105.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 74.31 110.935 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -56.42 99.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 70.54 110.862 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -116.65 122.2 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 75.44 111.118 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.14 139.68 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -144.02 125.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.143 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.911 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -108.67 85.92 3.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 73.25 110.84 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 72.14 112.37 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -61.51 -66.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.1 110.903 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.58 114.17 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.885 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.33 -7.53 53.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -112.1 -19.7 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.834 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.24 35.15 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.833 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -72.81 170.49 14.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 75.4 110.9 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.06 115.3 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.7 p -121.85 45.57 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -160.5 157.74 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.914 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 121.88 33.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.881 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 64.02 37.6 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.902 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -75.02 -169.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.898 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -103.66 109.0 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -145.67 141.59 28.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.73 166.77 11.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.136 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.94 125.35 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.12 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 123.76 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.857 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -100.1 22.7 10.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 65.22 111.183 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -122.93 -35.71 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -130.75 10.88 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 t30 51.57 71.75 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 75.22 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.57 130.7 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.08 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.6 150.32 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 72.24 111.079 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.56 47.61 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 63.03 110.807 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.19 138.34 54.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.863 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 61.34 110.827 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.723 0.297 . . . . 74.42 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -118.07 147.23 43.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 73.2 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -122.81 136.88 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 72.21 111.139 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.21 -155.3 7.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 52.14 112.456 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 151.19 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 75.21 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.71 -169.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.09 124.32 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 70.13 111.125 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -17.08 53.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.902 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -52.14 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -125.01 11.45 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 71.3 110.853 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 t30 66.73 123.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.36 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.41 110.835 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.6 t -75.8 120.09 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.56 159.25 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.89 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -174.92 -169.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.943 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.16 136.1 54.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.91 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 163.89 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 74.33 110.883 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.86 -71.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.84 32.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.081 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.43 6.62 17.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 73.55 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 128.95 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 75.11 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -68.83 115.64 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -132.07 145.75 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 74.13 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -117.57 136.5 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.881 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 tp -140.18 127.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.25 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.89 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.3 74.7 1.54 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.589 0.709 . . . . 75.43 110.856 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.29 37.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.704 2.27 . . . . 70.21 112.331 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -66.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.852 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.3 158.37 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 72.03 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.2 -23.14 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.1 110.824 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -17.73 12.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.21 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -116.23 21.98 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -71.5 -173.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.886 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m -69.96 114.6 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 72.2 110.869 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 p -122.22 32.12 5.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.11 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 156.31 43.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.902 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.29 120.97 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 64.79 41.63 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.893 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -78.05 -168.87 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.58 111.05 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.904 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.6 p -139.97 173.2 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.15 110.829 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.8 p -151.13 132.89 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.111 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.2 t -92.25 144.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.12 111.13 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 112.9 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -95.01 25.75 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 54.14 111.11 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -116.85 -27.01 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 73.04 110.945 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.84 13.92 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 51.57 88.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -177.83 179.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -150.87 137.39 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.34 111.123 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -94.02 87.76 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.11 110.906 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 66.9 m -70.17 160.38 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.928 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.848 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 74.21 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.97 152.2 28.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.935 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.1 m -117.07 135.32 53.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.32 111.15 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.02 -159.66 11.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 62.21 112.507 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -136.64 165.03 26.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 72.1 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 171.11 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.837 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.09 124.81 52.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -25.64 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -49.78 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -118.77 32.43 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 72.35 110.939 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 40.18 39.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.18 103.29 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.82 113.84 22.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 64.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 157.34 18.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.55 110.878 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -162.84 -171.47 2.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.954 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 136.25 54.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.41 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 166.64 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 65.42 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.46 -72.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.01 110.882 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.13 25.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.13 111.148 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.23 7.55 7.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 74.11 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -69.55 125.95 28.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 70.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.64 117.54 8.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.884 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.4 m -129.81 134.2 47.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 75.2 111.137 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.58 139.13 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.866 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 tp -147.21 129.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -169.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.879 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.4 77.15 2.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.648 0.737 . . . . 72.5 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -17.54 37.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 74.52 112.328 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -61.66 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.67 96.89 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -13.59 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.861 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.38 -19.36 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -125.3 42.23 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.911 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -174.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.9 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -69.01 114.76 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 46.37 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.43 111.111 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.87 156.76 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.924 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -92.66 124.61 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 75.12 110.895 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.9 35.4 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -74.13 -170.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.919 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -105.54 111.74 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.838 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 p -149.54 141.12 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 p -115.8 130.36 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.163 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -95.98 144.35 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.176 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.35 117.39 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.844 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -88.04 -25.13 23.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.152 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.52 -22.97 53.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.936 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -118.52 -13.7 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 75.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.46 80.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.54 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.63 -173.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 152.0 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 74.31 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -111.23 72.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 61.32 110.845 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 m -51.93 160.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 70.42 110.874 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.842 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.821 0.343 . . . . 75.53 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.13 152.33 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 m -122.55 133.99 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 75.13 111.152 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.68 -153.33 6.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.544 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 154.1 44.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.34 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -111.78 -168.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.883 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 128.88 26.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.18 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -14.22 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.861 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -47.24 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 70.41 110.872 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -131.9 19.77 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 60.34 110.907 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 t30 65.6 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.15 95.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.12 119.8 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 151.67 22.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -168.86 -171.21 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.03 110.926 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -120.29 136.77 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.24 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 167.0 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 72.53 110.875 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.1 -72.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 73.53 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.86 24.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 65.25 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.72 6.53 7.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.507 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -69.68 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 75.24 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.18 115.06 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.885 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -126.74 144.45 50.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 63.13 111.155 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.46 144.3 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 73.04 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tp -155.55 123.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.129 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.927 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -111.51 78.38 1.98 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.657 0.741 . . . . 73.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 73.55 112.328 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -57.14 -66.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.3 110.922 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 171.36 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.898 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -3.25 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.825 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.35 0.06 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.909 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -122.18 7.56 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.913 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 154.23 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.97 107.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -115.9 46.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.135 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.58 153.29 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -86.81 119.79 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.841 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.46 42.61 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.859 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -79.06 -169.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.32 110.41 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.897 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 32.1 p -147.66 135.32 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -109.99 146.88 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -115.95 144.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 134.16 53.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.842 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -109.61 8.05 24.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.128 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -116.35 -22.68 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.926 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.68 -12.7 9.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 74.1 110.829 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.24 81.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.49 166.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 75.15 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.07 160.37 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.123 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -120.15 61.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -50.63 154.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 70.42 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.875 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.799 0.333 . . . . 62.05 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -76.79 120.85 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 62.32 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 m -99.78 135.09 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.04 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.59 -152.72 6.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 72.1 112.486 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 154.34 44.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 72.12 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -108.72 -168.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.902 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.0 121.04 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -19.23 39.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.909 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -50.38 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.89 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.19 15.0 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 66.73 125.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 65.51 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.69 85.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.96 109.16 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 152.62 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.901 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -170.4 -169.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.92 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.17 145.04 47.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 73.43 110.869 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.26 -75.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -55.06 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.828 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.96 -39.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.74 21.21 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.672 -0.775 . . . . 64.22 112.478 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 74.43 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.47 95.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 61.13 110.858 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 m -103.89 138.23 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -106.88 138.27 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -133.66 125.72 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 73.43 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -55.12 178.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 71.1 110.911 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.13 84.49 2.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.654 0.74 . . . . 72.43 110.904 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.47 36.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 74.44 112.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.914 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.16 150.33 25.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.42 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.02 -27.6 8.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.94 -14.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.31 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -119.09 24.22 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -169.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.918 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 7.8 m -58.27 110.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.3 p -119.31 41.68 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.17 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 153.32 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.932 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.73 119.98 27.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.854 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 65.28 44.91 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -82.38 -169.38 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.888 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -101.13 109.15 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 16.9 p -151.49 140.95 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.859 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 p -112.54 -173.51 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.084 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.24 127.1 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -102.68 109.79 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -81.32 -0.08 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -82.07 -42.48 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.44 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -139.03 22.02 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 51.82 70.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.56 131.21 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.138 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -108.99 137.45 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 70.24 111.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.34 53.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 54.23 110.849 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.1 m -50.56 143.02 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.849 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.51 110.837 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.766 0.317 . . . . 64.33 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -101.55 153.22 19.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.945 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.55 135.26 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 71.5 111.15 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.29 -162.52 19.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 61.23 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 154.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 63.45 110.838 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -168.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 122.21 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 71.54 111.164 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -59.5 -18.56 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -49.11 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 72.45 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 10.52 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.856 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.14 94.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.2 m -70.19 108.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.925 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.66 148.05 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -163.59 -169.54 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -121.01 137.21 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -129.1 -41.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.881 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.99 32.48 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.836 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.31 47.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 65.41 111.127 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.83 5.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 70.43 112.481 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -51.8 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 73.41 110.909 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 100.01 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 74.53 110.85 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -121.67 141.56 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.172 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -98.1 144.24 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 tp -140.46 117.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.132 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -50.88 169.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.881 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.51 78.4 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 73.01 110.896 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.2 34.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 72.12 112.387 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -52.0 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.75 98.01 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -7.54 53.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.3 11.88 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 63.13 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -153.45 22.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.881 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.41 168.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.15 110.883 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.7 m -51.38 117.11 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.815 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -126.71 37.43 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 75.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.95 155.11 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.889 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -89.65 120.86 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.866 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.46 41.01 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -78.15 -170.75 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -105.92 112.3 25.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.916 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.59 144.81 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.853 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -121.05 139.47 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.23 140.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.135 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.65 112.74 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.4 110.85 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -94.85 26.32 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.168 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -116.63 -25.55 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.88 13.08 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.04 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m120 51.39 83.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.86 163.13 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.52 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.07 151.35 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 72.11 111.176 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.86 55.75 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.51 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.8 m -63.72 134.97 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 70.44 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.782 0.325 . . . . 64.42 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -96.16 152.43 18.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.87 132.01 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 73.54 111.174 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.72 -160.6 10.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 62.44 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.54 153.58 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 72.43 110.877 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -100.49 -169.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.917 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.69 114.83 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.123 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -18.58 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -49.7 -67.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.88 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 23.41 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 74.45 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 120.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.886 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.98 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -95.57 119.77 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 156.14 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.831 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -166.48 -170.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.06 144.68 44.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.42 -72.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.87 62.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.119 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.53 6.53 62.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 70.43 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -58.46 100.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 73.43 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -61.67 94.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 62.44 110.833 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.0 m -116.02 118.37 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.155 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.35 126.1 29.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.891 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -132.12 121.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.181 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -56.05 177.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.936 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.22 82.36 2.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 74.21 110.862 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.28 37.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 64.22 112.395 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.51 88.02 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.87 -7.92 54.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.857 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.89 9.45 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -153.53 26.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.897 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -51.74 170.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.93 147.77 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.892 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -140.12 15.03 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 71.53 111.105 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.04 147.19 50.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.23 110.902 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 128.43 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 61.35 110.892 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 55.7 46.73 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -85.95 -168.62 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 72.24 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -98.88 108.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.56 140.67 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.861 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.2 p -120.12 128.24 53.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.115 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.43 132.61 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 71.52 111.083 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.54 92.21 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -66.35 -13.85 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 65.23 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -51.52 -37.62 50.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -153.35 26.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 71.12 110.901 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 51.77 81.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.24 93.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.44 111.111 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -82.03 159.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.111 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.44 53.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.05 110.82 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.9 m -56.83 130.21 44.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.875 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.328 . . . . 75.34 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -120.05 150.67 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 m -121.71 136.07 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 63.34 111.13 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.06 -164.78 17.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.737 . . . . 55.41 112.512 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.19 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 72.32 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -168.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 126.28 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.111 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.4 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.919 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -49.46 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.827 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -128.27 14.64 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 t30 66.04 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -179.94 93.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.22 110.48 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.903 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.935 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -164.63 -173.46 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.72 136.57 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.48 -39.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 51.12 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.67 30.65 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.66 48.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 70.24 111.103 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.62 -22.88 5.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 71.54 112.438 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 74.42 110.927 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.25 94.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -107.19 131.89 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.172 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -99.29 126.93 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.04 110.878 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.73 124.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.4 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -68.55 -168.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 64.02 110.922 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -114.36 70.29 2.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 73.01 110.897 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.11 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 60.42 112.342 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -59.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.87 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.23 -40.32 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.871 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.39 10.21 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.13 -37.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -111.39 26.97 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.44 168.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.95 120.96 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p -120.75 33.37 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.1 111.157 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 158.39 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 65.42 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.32 121.78 33.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.88 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.07 37.82 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.49 -170.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.881 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.74 112.38 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.22 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 p -146.28 138.86 25.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.919 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 p -117.12 129.89 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.43 111.13 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.06 143.99 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 73.51 111.157 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.27 89.01 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.3 p -63.35 -16.16 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.33 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -51.59 -43.43 62.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.64 22.32 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 62.52 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 51.67 83.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.13 109.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 75.33 111.062 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.58 148.06 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.124 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -102.08 56.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 71.43 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -51.0 147.82 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.846 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.886 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 75.31 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -109.96 145.29 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.939 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.7 m -115.21 137.79 51.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.38 -157.22 9.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 73.3 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 154.46 44.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 75.44 110.931 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -109.69 -169.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.889 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.74 124.43 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 73.41 111.192 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -17.1 51.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.888 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -50.39 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 70.12 110.859 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -119.27 8.23 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.887 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.24 111.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 73.15 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -173.4 101.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.34 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 114.91 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 70.43 110.837 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -81.5 145.97 30.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.937 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -164.65 -177.95 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.29 146.04 48.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 72.45 110.937 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.19 -41.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.929 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.5 30.28 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.25 48.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.076 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.82 -23.33 5.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.466 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.83 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.307 . . . . 74.11 110.928 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.75 98.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.839 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.3 m -109.25 125.25 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.15 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -98.99 126.85 44.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 75.31 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 tp -134.47 124.13 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.146 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -169.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.883 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -110.96 79.28 1.85 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 65.25 110.902 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -17.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 74.23 112.363 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -63.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.31 -169.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.837 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.23 -39.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.929 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 13.54 17.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -125.42 1.33 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 165.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.865 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 13.4 m -51.46 113.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.89 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -120.13 34.4 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.44 111.103 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.77 155.45 41.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.03 110.876 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -88.42 121.27 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.827 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 64.36 42.41 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -79.08 -169.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -103.21 111.67 24.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.0 p -147.93 138.67 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -118.12 130.6 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.208 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -95.89 143.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.144 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.69 89.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.842 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 p -64.87 -15.35 61.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.5 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.36 -45.0 65.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.79 21.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.53 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 71.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.51 128.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.118 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.77 150.4 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.73 64.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.6 m -51.01 158.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.5 110.843 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 74.52 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -91.84 153.08 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -131.68 135.98 47.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 75.42 111.113 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.88 -153.37 6.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 61.52 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 150.43 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 73.42 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 168.79 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.18 121.65 29.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 64.34 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -16.36 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.32 110.87 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.88 -59.96 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -144.09 14.03 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.76 117.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.894 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.46 109.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.901 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.43 119.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 153.41 22.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.881 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -174.54 -169.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -118.72 147.09 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -71.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -74.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 74.53 110.945 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.24 60.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 62.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.31 6.21 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 73.42 112.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 105.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 74.23 110.915 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.77 94.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -122.53 133.66 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.05 132.94 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.896 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -129.71 119.69 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.54 175.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.7 m -111.71 77.38 1.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 64.41 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.1 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 74.23 112.368 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -65.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.7 89.53 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -67.38 -13.28 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 65.13 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.67 -23.82 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.867 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.74 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.913 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -66.27 -174.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.926 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 34.7 m -51.91 138.35 24.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 72.44 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -145.14 14.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.142 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 177.74 7.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.903 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -113.69 129.83 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.01 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.57 -173.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.86 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -100.55 117.41 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.933 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.44 139.55 25.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.32 110.831 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -120.16 144.55 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.163 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -111.39 139.86 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.159 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.55 118.15 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.35 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -89.98 46.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 62.02 111.173 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -120.93 -33.01 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.99 24.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.858 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 51.49 83.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.26 108.64 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.086 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -93.17 162.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 63.4 111.166 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -115.49 56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.843 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 53.3 m -61.34 140.81 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.864 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 74.45 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -115.21 122.3 45.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 73.12 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -98.72 131.03 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 75.25 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.15 -160.78 10.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.42 153.46 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 75.32 110.876 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.73 -168.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.895 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.91 126.52 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.34 111.136 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -15.85 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 t -48.96 -62.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.842 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 11.89 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.867 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.65 109.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 70.4 110.89 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -169.68 92.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.909 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.21 124.4 22.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.885 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -85.18 142.6 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.896 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 3.9 p90 -172.56 -171.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 62.14 110.941 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 144.13 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.899 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -106.99 -52.98 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.905 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 -43.13 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.855 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.53 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.13 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.36 9.34 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 71.34 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -68.49 106.08 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.55 94.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.879 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.8 m -118.72 136.7 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -92.82 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -136.64 123.59 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 70.33 111.138 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.876 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.94 76.78 1.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 72.33 110.89 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -18.89 36.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 74.11 112.364 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -63.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 63.33 110.896 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.67 165.19 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.867 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.23 -27.86 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.61 18.5 8.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.909 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -138.45 10.88 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.862 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -53.71 166.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.89 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.8 m -51.23 107.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 p -119.29 32.11 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 74.55 111.138 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.18 156.24 44.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 74.41 110.937 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.87 120.96 30.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.835 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.95 41.14 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -78.07 -169.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.852 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -105.33 111.54 24.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.22 110.924 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 31.7 p -143.12 134.47 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 p -117.64 122.32 43.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.102 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.2 t -88.29 144.52 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 116.59 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.867 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -92.04 40.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.54 111.162 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -120.49 -32.61 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.909 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.55 19.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.875 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.87 96.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.02 111.095 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.61 149.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.41 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.29 70.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -53.36 167.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 63.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.797 0.332 . . . . 75.41 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -86.37 135.8 33.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.947 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -105.23 130.5 53.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.162 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.7 -160.09 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 72.31 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 166.05 23.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 75.45 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -121.4 -169.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.902 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.06 122.62 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.178 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -22.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.929 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -65.22 86.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.83 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.27 9.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.908 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.05 135.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.55 110.883 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -178.33 93.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.2 110.856 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.74 125.96 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.04 110.884 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.56 144.35 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.916 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -158.53 -169.1 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -120.04 117.34 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 174.49 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.862 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.61 -73.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 70.11 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.06 27.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 72.05 111.069 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.24 5.03 8.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.706 . . . . 63.04 112.515 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.97 127.67 33.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 75.11 110.884 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.15 117.58 15.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -139.73 141.62 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.21 111.161 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -95.53 162.37 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.899 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tp -169.86 123.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.136 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -60.72 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HA ' HG11 ' A' ' 52' ' ' VAL . 28.3 t -107.78 88.24 4.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 74.5 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 74.51 112.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -57.23 -68.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.66 161.57 17.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.861 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.69 -17.71 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 72.32 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.35 18.69 9.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.897 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -141.97 20.01 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.13 110.894 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 167.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.905 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 m -50.83 111.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.14 110.933 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -119.06 47.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 64.23 111.172 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.68 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -91.67 123.27 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.833 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.11 39.24 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.848 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -78.76 -168.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.895 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -103.95 110.31 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.1 p -150.3 139.49 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 60.15 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -110.21 176.15 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.31 111.149 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.56 126.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.45 111.12 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.887 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -98.86 21.99 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 70.44 111.141 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -119.7 -39.7 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.61 15.19 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.24 110.891 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t30 51.61 78.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.35 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 28' ' ' CYS . 8.3 p -113.42 147.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.156 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -116.21 42.27 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.925 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.1 p -55.6 137.84 48.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.903 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.897 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.329 . . . . 72.44 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.24 151.7 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.962 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -128.72 143.79 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.18 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.92 24.4 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 61.05 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 151.79 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 70.13 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -168.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.879 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.79 123.83 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 75.53 111.158 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -18.88 33.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 75.2 110.872 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -47.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 64.22 110.874 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.93 12.29 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.53 115.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.39 92.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 70.1 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.48 112.95 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.41 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.84 150.3 25.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.889 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -168.79 -179.85 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.932 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 151.11 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.891 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.96 -71.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.85 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.56 -74.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.54 61.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.094 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.88 7.38 62.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 71.51 112.492 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 100.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 73.31 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -63.71 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.831 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 m -110.28 119.88 40.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.14 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.74 134.48 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.909 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.07 135.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.113 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.871 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.51 86.9 3.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 75.14 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.6 37.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 65.41 112.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -62.56 -65.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.873 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.8 169.31 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.885 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.17 -24.63 7.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -8.21 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -111.3 16.57 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.911 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -178.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.953 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 m -67.57 115.71 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 75.52 110.906 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 t -124.19 48.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.138 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.3 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.912 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -86.78 120.15 27.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.896 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 63.87 42.49 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -77.11 -171.71 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 62.04 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -107.7 109.16 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -146.26 142.96 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 50.12 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -112.97 179.95 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.19 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.3 t -149.22 142.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 64.54 111.156 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.56 111.98 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 t -71.02 -17.64 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -46.8 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.897 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.56 32.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.883 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.87 79.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.87 114.88 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.44 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.95 138.02 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 72.14 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -105.92 57.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.8 m -50.66 144.47 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.12 110.861 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.882 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.789 0.328 . . . . 74.53 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -124.04 157.58 34.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.21 110.928 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -125.71 133.53 52.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 73.32 111.191 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.09 -163.12 17.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 75.12 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -136.69 158.87 43.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 74.24 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.84 -169.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.87 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.58 116.15 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.44 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -22.44 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.9 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -46.55 -75.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 63.34 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 10.99 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.22 110.89 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.73 119.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.45 110.86 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -179.84 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 109.46 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 149.81 31.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.908 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -168.77 -169.92 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.926 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.32 110.874 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -118.54 -41.59 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.892 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.37 34.55 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.904 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.82 23.22 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.33 -19.13 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 73.14 112.448 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 103.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 74.33 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.35 113.09 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.855 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -136.96 133.28 35.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.42 111.108 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -86.75 170.61 11.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.842 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -177.57 122.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.089 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -74.77 143.81 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 75.15 110.909 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.79 107.56 0.79 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 74.33 110.867 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -40.14 5.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 73.55 112.288 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.88 -63.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.46 102.52 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.889 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.69 -7.19 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.29 -23.9 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.888 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -112.78 23.31 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.876 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.838 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.16 126.74 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.4 p -129.67 32.38 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.141 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.14 158.42 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.859 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -95.81 127.59 41.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.856 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 64.57 30.73 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -70.79 -169.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.917 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.91 108.95 19.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -143.6 141.18 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 75.55 110.905 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.87 122.37 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.22 111.119 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.1 t -83.72 136.03 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.1 111.18 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.54 99.82 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -67.5 -13.69 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.172 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.72 -47.69 63.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 24.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 73.3 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 51.79 87.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 105.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.097 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.19 147.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 62.24 111.181 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -92.58 60.84 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.911 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.4 p -58.86 138.52 57.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.852 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 75.34 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.45 128.21 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -99.5 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 61.23 111.142 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.86 -149.75 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 74.34 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -142.91 158.79 43.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 74.02 110.888 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.42 -168.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.06 113.31 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.164 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -20.58 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.882 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -49.98 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.862 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.69 7.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.875 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.25 108.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.88 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -175.69 110.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -84.06 123.18 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 149.03 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.888 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -158.4 -168.72 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 130.97 56.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.879 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.68 -74.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -57.15 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.73 24.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.23 111.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.51 -8.24 3.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 75.42 112.478 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.59 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 73.41 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.2 97.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 72.15 110.844 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -107.84 116.85 32.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.142 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -85.37 141.59 29.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.875 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tp -145.26 125.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.14 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 178.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.9 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.4 t -110.75 78.11 1.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 73.32 110.873 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.02 36.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 71.34 112.352 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -51.29 -62.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 104.83 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -10.0 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.34 110.894 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -20.38 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.881 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -118.87 22.6 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.1 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.913 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.5 m -49.1 140.08 9.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 65.35 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -138.64 18.19 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.155 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 158.95 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.871 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.8 126.6 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.853 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 63.58 35.2 11.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.884 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -75.16 -167.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.886 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -103.61 107.55 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.856 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.13 -170.32 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.01 110.921 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.28 129.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.163 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.1 t -104.66 129.63 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 71.13 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.98 120.06 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.857 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -93.35 39.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 61.41 111.161 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -120.65 -33.4 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.25 16.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.87 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t30 51.36 87.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.867 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.98 114.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.3 111.088 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.75 143.31 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.02 111.113 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.29 55.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 p -51.81 141.04 18.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 61.45 110.858 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.825 0.345 . . . . 74.31 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -81.94 141.12 33.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 74.42 110.943 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.3 m -115.87 135.74 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 61.23 111.12 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.03 -159.77 10.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 74.41 112.534 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.18 153.69 47.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.321 . . . . 71.31 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.99 -168.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.23 110.893 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.0 125.16 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.43 111.139 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -15.86 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 72.34 110.861 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -48.16 -60.09 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.876 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.07 12.88 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 75.04 110.897 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.11 114.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -173.03 96.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.99 121.88 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 148.83 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 73.32 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -170.58 -170.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.973 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.25 52.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 75.12 110.907 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.98 -51.73 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.1 -40.0 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.907 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.48 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.96 18.2 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 71.11 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.78 105.94 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 73.23 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.2 97.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 75.4 110.888 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -122.03 136.25 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 71.5 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.69 151.88 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tp -155.99 135.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.13 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -65.11 177.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.856 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.53 79.23 7.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 74.13 110.83 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.61 37.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 75.33 112.295 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -60.69 -65.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 72.24 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 91.9 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.92 -12.14 61.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 71.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -23.62 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.922 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -120.06 34.34 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.893 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 173.94 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 74.12 110.876 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.9 m -59.47 117.11 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.857 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 p -127.35 15.71 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.114 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 160.11 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 73.44 110.924 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -91.74 124.22 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.846 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 62.07 39.32 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -77.14 -170.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.899 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -105.18 110.8 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 19.5 p -143.65 140.4 30.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.904 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -124.6 138.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 75.21 111.153 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -96.25 133.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.138 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.27 88.1 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.867 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -63.99 -15.64 59.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 73.21 111.172 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -51.75 -37.68 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.28 22.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.7 t30 51.77 88.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 73.04 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.61 104.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.119 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 p -79.96 160.23 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.32 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -112.37 53.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.854 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 m -61.47 139.4 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.875 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 60.25 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.82 0.343 . . . . 74.31 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 121.51 41.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.928 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -104.79 155.98 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.04 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.31 134.94 54.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.185 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.91 -167.08 22.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.479 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -142.3 150.94 41.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.911 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.14 126.13 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.04 111.149 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -59.93 -17.82 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.905 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -49.74 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.876 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -125.43 12.42 8.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.91 110.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.843 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -169.29 95.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.39 112.4 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.32 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.89 150.85 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.52 110.874 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -163.86 -171.12 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 60.22 110.929 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.57 142.79 51.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 75.12 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.51 -54.74 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -46.65 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.857 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.4 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 111.094 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.19 11.36 2.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 50.34 112.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -68.06 103.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 72.35 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.41 94.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.848 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -111.89 130.26 55.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 71.13 111.124 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.17 128.05 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.5 118.84 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.01 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -61.91 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.924 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.17 79.89 1.71 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 64.43 110.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -17.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.73 2.287 . . . . 73.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -59.3 -65.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 74.25 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.07 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.875 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.25 -25.3 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.858 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.04 15.25 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.896 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -133.38 6.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.917 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 169.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 75.54 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 12.3 m -51.16 118.62 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 71.12 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -123.11 35.38 4.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.44 156.43 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 65.24 110.911 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -88.85 125.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.2 110.866 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 59.47 41.55 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.55 110.858 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -76.24 -171.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 73.14 110.896 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 111.88 24.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 63.34 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.37 142.21 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.23 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -120.65 125.14 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.111 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.2 t -89.57 144.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.093 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.75 103.74 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.852 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -71.55 -14.38 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.12 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -51.72 -36.72 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.939 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.37 23.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 65.15 110.895 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.35 94.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.12 116.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.074 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -99.84 144.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.136 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -100.96 68.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -51.23 154.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.369 . . . . 74.44 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.85 158.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 73.31 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -120.23 177.49 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 71.2 110.895 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.91 152.77 51.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 65.41 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.26 -160.81 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 72.42 112.478 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 151.16 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 64.32 110.877 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.8 m -95.59 -175.88 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.41 109.84 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 73.44 111.118 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -21.29 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -44.37 -55.5 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.22 21.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 72.45 110.865 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.82 115.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 65.33 110.855 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.51 107.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.04 112.87 24.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 72.05 110.859 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 148.54 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.903 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -165.81 -169.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.004 0.431 . . . . 64.52 110.924 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.08 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 72.42 110.889 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.16 -52.98 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 62.31 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -42.92 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.41 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.05 14.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 74.34 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 102.68 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.75 0.31 . . . . 70.32 110.9 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -63.52 93.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.887 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -114.9 124.43 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.44 111.087 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.79 145.48 26.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 75.12 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -160.48 132.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.131 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -56.04 -179.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -110.21 81.0 2.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.722 . . . . 73.12 110.907 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 72.51 112.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.04 -62.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.871 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.33 150.16 27.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -103.36 -28.12 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 75.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -118.34 -11.43 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 65.11 110.858 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.41 20.27 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 74.35 110.901 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -174.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -54.71 142.69 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.843 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 p -152.12 19.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 74.54 111.133 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -144.43 166.16 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.23 119.83 38.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 75.14 110.893 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m120 64.47 45.18 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.441 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.1 p30 -85.65 -174.53 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.847 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -95.39 111.23 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -144.76 143.27 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 74.05 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 p -121.96 127.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 72.23 111.164 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.8 t -90.78 143.44 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 73.21 111.144 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.21 121.85 44.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -91.54 44.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 72.54 111.183 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -119.2 -31.7 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.945 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.5 29.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 53.53 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 m120 53.76 84.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.853 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -152.98 99.66 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 64.34 111.119 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.7 p -88.72 148.45 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.167 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.64 52.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.85 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.68 138.0 36.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.84 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.363 . . . . 73.13 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.67 147.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.16 148.38 31.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.3 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.3 m -126.42 129.87 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 74.21 111.15 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 -155.36 7.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 72.51 112.513 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 150.68 40.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 74.01 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.91 -168.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.88 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.6 124.52 19.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.138 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.34 37.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.885 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -49.72 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 73.14 110.862 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.1 10.87 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 60.02 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.9 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.44 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -166.99 96.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -67.96 110.45 3.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 124.41 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.33 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.68 -169.69 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 117.6 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 71.1 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -34.26 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.845 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -104.48 33.03 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.908 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.29 32.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.092 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.82 -21.04 1.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 61.32 112.475 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 113.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.326 . . . . 73.53 110.89 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.38 93.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 61.21 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -114.55 136.59 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.102 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.3 131.11 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -136.02 118.45 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.04 111.124 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -59.18 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.901 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.83 82.0 2.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 73.44 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -18.44 37.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 75.41 112.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.98 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.9 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.5 142.59 46.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.904 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.07 2.96 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -135.38 14.42 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.902 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -137.7 9.26 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.851 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.2 164.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.866 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.38 117.96 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.8 p -124.75 38.44 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.081 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 156.49 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 73.34 110.896 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -90.47 123.55 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 70.01 110.871 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 63.33 40.03 8.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 75.44 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -78.43 -169.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.86 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.49 109.9 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.892 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 25.9 p -144.45 126.29 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 61.22 110.909 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -106.13 131.08 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 63.44 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.34 144.2 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.88 119.42 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.852 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -94.94 25.19 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 63.4 111.172 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -105.07 -26.51 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.44 19.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.912 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 51.31 87.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.882 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.69 133.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 55.23 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.87 155.38 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 73.11 111.117 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.24 58.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -53.53 149.48 7.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.52 110.851 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.0 110.887 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.835 0.35 . . . . 72.11 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.43 -176.94 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.93 152.07 48.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.51 110.927 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -116.95 136.16 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 61.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.82 -165.85 21.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 60.44 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 151.81 45.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 71.51 110.845 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 -168.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.865 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.07 124.67 22.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.135 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -18.92 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.54 110.923 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -49.03 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.832 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -124.05 9.19 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.903 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 65.24 118.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -178.69 96.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.918 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.42 109.81 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 72.13 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 146.31 28.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.34 110.895 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.49 -170.6 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.925 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 134.32 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.919 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.07 162.98 31.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.861 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 71.92 -69.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.866 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.03 27.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.129 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.33 6.51 9.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 71.03 112.546 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -68.77 131.58 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 74.45 110.891 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -71.09 116.64 11.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -129.68 129.06 43.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.134 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -104.44 138.39 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.2 tp -156.78 134.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 75.5 111.145 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -83.96 149.98 25.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -49.67 107.94 0.89 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 71.2 110.896 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -32.97 17.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 74.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -63.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.895 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.16 143.04 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 71.44 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -102.65 -21.24 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 64.33 110.882 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -10.74 9.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 21.31 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.891 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.0 pttm -67.31 -169.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.01 110.902 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 m -51.13 121.03 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.888 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.2 p -125.12 40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.111 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.71 153.34 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.887 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -85.52 121.32 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.888 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.0 t30 60.25 46.05 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -78.48 -172.2 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 74.21 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.91 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 p -145.56 139.9 27.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -120.4 120.89 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.59 139.36 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.155 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.89 120.99 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 62.13 110.865 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -91.0 45.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.98 -35.74 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.949 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 26.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 64.34 110.91 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 52.04 87.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.85 107.82 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 74.34 111.132 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.2 p -95.34 142.04 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 70.41 111.139 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.88 59.11 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.884 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 p -60.92 135.94 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.33 110.91 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.886 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 71.3 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.906 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -85.06 135.68 33.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.91 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.8 m -104.44 129.93 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 75.23 111.164 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -158.68 8.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 74.41 112.54 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 158.46 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.97 -168.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.897 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.47 126.42 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 64.54 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -17.08 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.63 -57.84 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.896 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -151.34 20.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 73.12 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.27 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 75.42 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -162.41 85.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.21 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.66 115.62 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 148.81 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.889 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -165.27 -173.43 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.939 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 144.21 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 75.31 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -74.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.52 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.88 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.846 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.8 53.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.3 -10.62 26.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 73.41 112.522 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -52.14 105.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 74.31 110.935 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -56.42 99.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 70.54 110.862 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -116.65 122.2 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 75.44 111.118 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.14 139.68 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -144.02 125.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.143 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.911 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.0 t -108.67 85.92 3.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 73.25 110.84 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 72.14 112.37 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -61.51 -66.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.1 110.903 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.58 114.17 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.885 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.33 -7.53 53.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -112.1 -19.7 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.834 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.24 35.15 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.833 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -72.81 170.49 14.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 75.4 110.9 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.06 115.3 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 75.1 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.7 p -121.85 45.57 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 73.51 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -160.5 157.74 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.914 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 121.88 33.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.42 110.881 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 64.02 37.6 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 72.14 110.902 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -75.02 -169.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.898 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -103.66 109.0 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -145.67 141.59 28.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.73 166.77 11.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.136 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.94 125.35 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 61.12 111.137 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 123.76 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.857 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -100.1 22.7 10.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 65.22 111.183 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -122.93 -35.71 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -130.75 10.88 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 72.53 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 t30 51.57 71.75 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 75.22 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.57 130.7 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 73.15 111.08 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.1 p -111.6 150.32 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 72.24 111.079 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.56 47.61 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 63.03 110.807 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.19 138.34 54.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.863 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 61.34 110.827 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.844 0.354 . . . . 74.45 111.087 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 152.74 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -118.07 147.23 43.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 73.2 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -122.81 136.88 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 72.21 111.139 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.21 -155.3 7.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 52.14 112.456 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 151.19 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 75.21 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.71 -169.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.09 124.32 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 70.13 111.125 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -17.08 53.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.902 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -52.14 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -125.01 11.45 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 71.3 110.853 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 t30 66.73 123.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.36 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.41 110.835 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.6 t -75.8 120.09 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.56 159.25 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.89 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -174.92 -169.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.943 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.16 136.1 54.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.91 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 163.89 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 74.33 110.883 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.86 -71.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 75.31 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.84 32.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.081 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.43 6.62 17.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 73.55 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 128.95 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 75.11 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -68.83 115.64 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -132.07 145.75 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 74.13 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -117.57 136.5 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.881 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 tp -140.18 127.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.25 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.31 110.89 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.3 74.7 1.54 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.589 0.709 . . . . 75.43 110.856 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.29 37.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.704 2.27 . . . . 70.21 112.331 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -66.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.852 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.3 158.37 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 72.03 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.2 -23.14 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.1 110.824 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -17.73 12.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.21 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -116.23 21.98 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -71.5 -173.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.886 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m -69.96 114.6 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 72.2 110.869 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 p -122.22 32.12 5.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.11 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 156.31 43.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 74.33 110.902 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.29 120.97 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 64.79 41.63 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.893 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -78.05 -168.87 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 73.4 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.58 111.05 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.904 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.6 p -139.97 173.2 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.15 110.829 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.8 p -151.13 132.89 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.111 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.2 t -92.25 144.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.12 111.13 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 112.9 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -95.01 25.75 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 54.14 111.11 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -116.85 -27.01 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 73.04 110.945 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.84 13.92 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 51.57 88.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.34 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -177.83 179.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.104 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -150.87 137.39 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.34 111.123 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -94.02 87.76 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.11 110.906 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 66.9 m -70.17 160.38 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.928 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.848 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 75.01 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 138.6 45.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 74.21 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.97 152.2 28.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.935 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.1 m -117.07 135.32 53.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.32 111.15 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.02 -159.66 11.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 62.21 112.507 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -136.64 165.03 26.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 72.1 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 171.11 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 72.54 110.837 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.09 124.81 52.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 72.41 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -25.64 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -49.78 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -118.77 32.43 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 72.35 110.939 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 40.18 39.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.18 103.29 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.41 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.82 113.84 22.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 64.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 157.34 18.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 75.55 110.878 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -162.84 -171.47 2.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.954 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 136.25 54.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.41 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 166.64 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 65.42 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.46 -72.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.01 110.882 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.13 25.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 71.13 111.148 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.23 7.55 7.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 74.11 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -69.55 125.95 28.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 70.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.64 117.54 8.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 73.22 110.884 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.4 m -129.81 134.2 47.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 75.2 111.137 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.58 139.13 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.866 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 tp -147.21 129.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -169.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.879 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.4 77.15 2.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.648 0.737 . . . . 72.5 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -17.54 37.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 74.52 112.328 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -61.66 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.67 96.89 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -13.59 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.861 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.38 -19.36 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -125.3 42.23 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.911 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -174.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.9 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -69.01 114.76 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 46.37 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.43 111.111 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.87 156.76 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.924 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -92.66 124.61 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 75.12 110.895 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.9 35.4 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -74.13 -170.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.919 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -105.54 111.74 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.838 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 p -149.54 141.12 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 p -115.8 130.36 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 73.23 111.163 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -95.98 144.35 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.43 111.176 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.35 117.39 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.844 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -88.04 -25.13 23.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.152 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.52 -22.97 53.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 72.02 110.936 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -118.52 -13.7 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 75.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.46 80.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 73.54 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.63 -173.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 152.0 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 74.31 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -111.23 72.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 61.32 110.845 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 m -51.93 160.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 70.42 110.874 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.842 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.855 0.36 . . . . 51.42 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.34 153.89 11.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.13 152.33 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 72.51 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.9 m -122.55 133.99 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 75.13 111.152 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.68 -153.33 6.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.544 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 154.1 44.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 74.34 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -111.78 -168.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.2 110.883 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 128.88 26.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.22 111.18 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -14.22 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.861 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -47.24 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 70.41 110.872 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -131.9 19.77 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 60.34 110.907 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 t30 65.6 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.15 95.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.54 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.12 119.8 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 151.67 22.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -168.86 -171.21 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.03 110.926 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -120.29 136.77 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.24 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 167.0 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 72.53 110.875 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.1 -72.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 73.53 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.86 24.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 65.25 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.72 6.53 7.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.507 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -69.68 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 75.24 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.18 115.06 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.885 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -126.74 144.45 50.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 63.13 111.155 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.46 144.3 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 73.04 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.0 tp -155.55 123.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.129 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.927 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -111.51 78.38 1.98 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.657 0.741 . . . . 73.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 73.55 112.328 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -57.14 -66.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 75.3 110.922 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 171.36 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.898 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -3.25 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.825 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.35 0.06 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 72.44 110.909 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -122.18 7.56 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.913 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 154.23 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 75.35 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.97 107.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -115.9 46.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.135 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.58 153.29 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.911 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -86.81 119.79 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.841 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.46 42.61 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.859 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -79.06 -169.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.12 110.887 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.32 110.41 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.897 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 32.1 p -147.66 135.32 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.3 p -109.99 146.88 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 74.44 111.128 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -115.95 144.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 71.42 111.117 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 134.16 53.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.842 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -109.61 8.05 24.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.128 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -116.35 -22.68 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.926 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.68 -12.7 9.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 74.1 110.829 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.24 81.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.49 166.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 75.15 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.07 160.37 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.123 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -120.15 61.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -50.63 154.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 70.42 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.875 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 71.04 111.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 136.1 51.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.05 110.891 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -76.79 120.85 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 62.32 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 m -99.78 135.09 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 74.04 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.59 -152.72 6.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 72.1 112.486 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 154.34 44.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 72.12 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -108.72 -168.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.902 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.0 121.04 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -19.23 39.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.909 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -50.38 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.89 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.19 15.0 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 66.73 125.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 65.51 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.69 85.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.96 109.16 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 73.43 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 152.62 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.901 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -170.4 -169.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.92 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.17 145.04 47.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 73.43 110.869 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.26 -75.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -55.06 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.828 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.96 -39.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.74 21.21 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.672 -0.775 . . . . 64.22 112.478 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 74.43 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.47 95.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 61.13 110.858 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 m -103.89 138.23 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.13 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -106.88 138.27 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -133.66 125.72 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 73.43 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -55.12 178.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 71.1 110.911 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.13 84.49 2.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.654 0.74 . . . . 72.43 110.904 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.47 36.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 74.44 112.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.914 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.16 150.33 25.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 64.42 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.02 -27.6 8.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.94 -14.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.31 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -119.09 24.22 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -169.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.918 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 7.8 m -58.27 110.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.3 p -119.31 41.68 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.32 111.17 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.45 153.32 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.932 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.73 119.98 27.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.854 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 65.28 44.91 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -82.38 -169.38 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.888 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -101.13 109.15 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 16.9 p -151.49 140.95 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.859 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 p -112.54 -173.51 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.084 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.24 127.1 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -102.68 109.79 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -81.32 -0.08 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -82.07 -42.48 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.44 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -139.03 22.02 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.91 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 51.82 70.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -121.56 131.21 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.138 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -108.99 137.45 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 70.24 111.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.34 53.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 54.23 110.849 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.1 m -50.56 143.02 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.849 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.51 110.837 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.892 0.377 . . . . 51.41 111.079 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 155.26 36.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 64.33 110.88 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -101.55 153.22 19.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.945 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.55 135.26 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 71.5 111.15 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.29 -162.52 19.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 61.23 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 154.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 63.45 110.838 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -168.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 122.21 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 71.54 111.164 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -59.5 -18.56 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 73.54 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -49.11 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 72.45 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 10.52 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.856 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.14 94.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.2 m -70.19 108.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.925 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.66 148.05 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -163.59 -169.54 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -121.01 137.21 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -129.1 -41.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.881 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.99 32.48 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.836 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.31 47.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 65.41 111.127 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.83 5.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 70.43 112.481 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -51.8 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 73.41 110.909 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 100.01 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 74.53 110.85 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -121.67 141.56 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.172 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -98.1 144.24 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.1 tp -140.46 117.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.132 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -50.88 169.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.881 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.51 78.4 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 73.01 110.896 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.2 34.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 72.12 112.387 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -52.0 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.75 98.01 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -7.54 53.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.3 11.88 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 63.13 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -153.45 22.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.881 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.41 168.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 75.15 110.883 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.7 m -51.38 117.11 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.815 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -126.71 37.43 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 75.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.95 155.11 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.24 110.889 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -89.65 120.86 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.866 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.46 41.01 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -78.15 -170.75 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -105.92 112.3 25.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.916 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.59 144.81 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.853 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.8 p -121.05 139.47 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.128 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.23 140.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.135 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.65 112.74 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 73.4 110.85 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -94.85 26.32 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.168 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -116.63 -25.55 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.88 13.08 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.04 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m120 51.39 83.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.43 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.86 163.13 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.52 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.07 151.35 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 72.11 111.176 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.86 55.75 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.51 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.8 m -63.72 134.97 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 70.44 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.836 0.351 . . . . 73.31 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 109.42 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 64.42 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -96.16 152.43 18.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.87 132.01 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 73.54 111.174 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.72 -160.6 10.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 62.44 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.54 153.58 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 72.43 110.877 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -100.49 -169.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.1 110.917 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.69 114.83 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.123 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -18.58 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 63.44 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -49.7 -67.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.54 110.88 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 23.41 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 74.45 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 120.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.886 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.98 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -95.57 119.77 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 156.14 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.831 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -166.48 -170.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 71.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.06 144.68 44.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.42 -72.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.87 62.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.119 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.53 6.53 62.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 70.43 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -58.46 100.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 73.43 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -61.67 94.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 62.44 110.833 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.0 m -116.02 118.37 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.155 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.35 126.1 29.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.891 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -132.12 121.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.181 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -56.05 177.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.936 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.22 82.36 2.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 74.21 110.862 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.28 37.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 64.22 112.395 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.893 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.51 88.02 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.87 -7.92 54.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 74.54 110.857 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.89 9.45 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -153.53 26.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.01 110.897 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -51.74 170.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.93 147.77 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.892 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -140.12 15.03 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 71.53 111.105 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.04 147.19 50.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 74.23 110.902 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 128.43 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 61.35 110.892 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 55.7 46.73 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -85.95 -168.62 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 72.24 110.878 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -98.88 108.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.56 140.67 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.861 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.2 p -120.12 128.24 53.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 73.13 111.115 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.43 132.61 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 71.52 111.083 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.54 92.21 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -66.35 -13.85 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 65.23 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -51.52 -37.62 50.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -153.35 26.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 71.12 110.901 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 51.77 81.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -160.24 93.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 64.44 111.111 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -82.03 159.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.111 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.44 53.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.05 110.82 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.9 m -56.83 130.21 44.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.875 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 72.53 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 143.12 27.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.877 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -120.05 150.67 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 60.2 m -121.71 136.07 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 63.34 111.13 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.06 -164.78 17.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.737 . . . . 55.41 112.512 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.19 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 72.32 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -168.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 126.28 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.111 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.4 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.32 110.919 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -49.46 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.827 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -128.27 14.64 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 t30 66.04 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -179.94 93.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.22 110.48 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 64.31 110.903 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.935 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -164.63 -173.46 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.881 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.72 136.57 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.48 -39.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 51.12 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.67 30.65 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.873 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 72.66 48.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 70.24 111.103 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.62 -22.88 5.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 71.54 112.438 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 74.42 110.927 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.25 94.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -107.19 131.89 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 73.21 111.172 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -99.29 126.93 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 75.04 110.878 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.73 124.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.4 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -68.55 -168.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 64.02 110.922 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.3 t -114.36 70.29 2.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 73.01 110.897 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.11 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 60.42 112.342 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -59.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.87 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.23 -40.32 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.54 110.871 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.39 10.21 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 73.3 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.13 -37.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -111.39 26.97 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.44 168.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 73.22 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.95 120.96 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p -120.75 33.37 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 73.1 111.157 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.67 158.39 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 65.42 110.901 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.32 121.78 33.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.88 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.07 37.82 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -72.49 -170.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.881 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.74 112.38 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.22 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 p -146.28 138.86 25.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.35 110.919 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.9 p -117.12 129.89 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.43 111.13 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -84.06 143.99 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 73.51 111.157 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.27 89.01 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.3 p -63.35 -16.16 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 75.33 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -51.59 -43.43 62.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.64 22.32 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 62.52 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 51.67 83.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.01 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -165.13 109.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 75.33 111.062 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.58 148.06 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.124 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -102.08 56.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 71.43 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -51.0 147.82 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.846 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.886 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.883 0.373 . . . . 75.4 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -67.33 125.32 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.929 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -109.96 145.29 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.12 110.939 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.7 m -115.21 137.79 51.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.38 -157.22 9.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 73.3 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 154.46 44.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 75.44 110.931 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -109.69 -169.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.889 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.74 124.43 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 73.41 111.192 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -17.1 51.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.888 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -50.39 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 70.12 110.859 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -119.27 8.23 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.887 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.24 111.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 73.15 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -173.4 101.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 72.34 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 114.91 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 70.43 110.837 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -81.5 145.97 30.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 75.11 110.937 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -164.65 -177.95 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.906 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.29 146.04 48.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 72.45 110.937 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.19 -41.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.929 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.5 30.28 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.895 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.25 48.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.076 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.82 -23.33 5.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 64.41 112.466 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.83 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.307 . . . . 74.11 110.928 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.75 98.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.839 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.3 m -109.25 125.25 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.15 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -98.99 126.85 44.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 75.31 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 tp -134.47 124.13 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.146 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -169.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 75.12 110.883 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -110.96 79.28 1.85 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 65.25 110.902 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -17.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 74.23 112.363 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -63.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.31 -169.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.837 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.23 -39.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.929 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 13.54 17.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -125.42 1.33 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.01 165.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.865 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 13.4 m -51.46 113.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.89 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 p -120.13 34.4 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.44 111.103 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.77 155.45 41.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 61.03 110.876 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -88.42 121.27 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.827 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 64.36 42.41 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -79.08 -169.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -103.21 111.67 24.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.0 p -147.93 138.67 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 74.31 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -118.12 130.6 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.208 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.7 t -95.89 143.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 73.43 111.144 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.69 89.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.842 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 p -64.87 -15.35 61.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.5 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.36 -45.0 65.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 74.21 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.79 21.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.53 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 71.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.51 128.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.118 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.77 150.4 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.73 64.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.6 m -51.01 158.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.5 110.843 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.848 0.356 . . . . 63.42 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 167.58 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.52 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -91.84 153.08 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -131.68 135.98 47.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 75.42 111.113 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.88 -153.37 6.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 61.52 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 150.43 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 73.42 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 168.79 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.18 121.65 29.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 64.34 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -16.36 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.32 110.87 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.88 -59.96 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -144.09 14.03 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.76 117.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.12 110.894 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.46 109.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.901 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.43 119.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 153.41 22.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.881 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -174.54 -169.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -118.72 147.09 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -71.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 72.44 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -74.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 74.53 110.945 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.24 60.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 62.14 111.121 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.31 6.21 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 73.42 112.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 105.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 74.23 110.915 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.77 94.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -122.53 133.66 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.05 132.94 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.896 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -129.71 119.69 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.166 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.54 175.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 75.0 110.884 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.7 m -111.71 77.38 1.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 64.41 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.1 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 74.23 112.368 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -65.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.7 89.53 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -67.38 -13.28 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 65.13 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.67 -23.82 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.867 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.74 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.913 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -66.27 -174.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.24 110.926 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 34.7 m -51.91 138.35 24.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 72.44 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -145.14 14.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.142 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.59 177.74 7.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.24 110.903 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -113.69 129.83 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.01 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -67.57 -173.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.03 110.86 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -100.55 117.41 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.933 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.44 139.55 25.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.32 110.831 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -120.16 144.55 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.163 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -111.39 139.86 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.159 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.55 118.15 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.35 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -89.98 46.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 62.02 111.173 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -120.93 -33.01 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.99 24.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.858 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 51.49 83.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.26 108.64 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.086 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 p -93.17 162.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 63.4 111.166 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -115.49 56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.843 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 53.3 m -61.34 140.81 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.864 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.874 0.369 . . . . 72.41 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt 63.27 150.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -115.21 122.3 45.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 73.12 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -98.72 131.03 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 75.25 111.159 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.15 -160.78 10.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.42 153.46 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 75.32 110.876 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.73 -168.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.895 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.91 126.52 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.34 111.136 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -15.85 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 t -48.96 -62.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 74.1 110.842 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 11.89 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.867 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.65 109.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 70.4 110.89 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -169.68 92.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.909 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.21 124.4 22.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.885 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -85.18 142.6 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.896 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 3.9 p90 -172.56 -171.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 62.14 110.941 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 144.13 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.899 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -106.99 -52.98 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.905 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 -43.13 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.855 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.53 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.13 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.36 9.34 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 71.34 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -68.49 106.08 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 74.32 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.55 94.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.879 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.8 m -118.72 136.7 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -92.82 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -136.64 123.59 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 70.33 111.138 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.876 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.94 76.78 1.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 72.33 110.89 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -18.89 36.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 74.11 112.364 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -63.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 63.33 110.896 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.67 165.19 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 74.1 110.867 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.23 -27.86 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.61 18.5 8.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.909 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -138.45 10.88 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 74.14 110.862 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -53.71 166.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.89 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.8 m -51.23 107.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 p -119.29 32.11 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 74.55 111.138 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.18 156.24 44.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 74.41 110.937 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.87 120.96 30.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.835 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.95 41.14 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -78.07 -169.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.852 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -105.33 111.54 24.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.22 110.924 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 31.7 p -143.12 134.47 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.9 p -117.64 122.32 43.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.102 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 79.2 t -88.29 144.52 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 74.35 111.131 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 116.59 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.867 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -92.04 40.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 70.54 111.162 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -120.49 -32.61 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.909 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.55 19.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.02 110.875 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.87 96.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 64.02 111.095 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.61 149.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.41 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.29 70.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -53.36 167.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 63.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.873 0.368 . . . . 74.1 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.52 137.33 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.864 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -86.37 135.8 33.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.947 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 m -105.23 130.5 53.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.162 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.7 -160.09 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 72.31 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 166.05 23.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 75.45 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -121.4 -169.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 72.31 110.902 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.06 122.62 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.178 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -22.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.929 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -65.22 86.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.83 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.27 9.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.908 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.05 135.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.55 110.883 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -178.33 93.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.2 110.856 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.74 125.96 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 72.04 110.884 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.56 144.35 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.916 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -158.53 -169.1 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -120.04 117.34 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 174.49 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.862 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.61 -73.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 70.11 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.06 27.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 72.05 111.069 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.24 5.03 8.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.706 . . . . 63.04 112.515 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.97 127.67 33.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 75.11 110.884 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.15 117.58 15.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -139.73 141.62 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.21 111.161 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -95.53 162.37 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.899 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tp -169.86 123.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.04 111.136 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -60.72 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.409 ' HA ' HG11 ' A' ' 52' ' ' VAL . 28.3 t -107.78 88.24 4.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 74.5 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 74.51 112.335 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -57.23 -68.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.66 161.57 17.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.861 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.69 -17.71 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 72.32 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.35 18.69 9.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.897 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -141.97 20.01 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.13 110.894 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.63 167.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.905 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 m -50.83 111.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.14 110.933 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -119.06 47.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 64.23 111.172 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.68 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -91.67 123.27 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.833 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.11 39.24 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.848 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -78.76 -168.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.895 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -103.95 110.31 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.1 p -150.3 139.49 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 60.15 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.1 p -110.21 176.15 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 75.31 111.149 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.56 126.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 74.45 111.12 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.887 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -98.86 21.99 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 70.44 111.141 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -119.7 -39.7 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.61 15.19 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.24 110.891 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t30 51.61 78.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.71 126.35 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 28' ' ' CYS . 8.3 p -113.42 147.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.156 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -116.21 42.27 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.925 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 10.1 p -55.6 137.84 48.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 71.45 110.903 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 74.44 110.897 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.888 0.375 . . . . 55.33 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.66 127.23 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.891 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.24 151.7 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.962 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.3 m -128.72 143.79 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.33 111.18 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.92 24.4 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 61.05 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 151.79 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 70.13 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -168.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.879 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.79 123.83 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 75.53 111.158 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -18.88 33.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 75.2 110.872 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -47.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 64.22 110.874 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.93 12.29 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 73.43 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.53 115.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.39 92.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 70.1 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.48 112.95 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 64.41 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.84 150.3 25.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.889 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -168.79 -179.85 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.932 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 151.11 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 73.12 110.891 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.96 -71.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.85 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.56 -74.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.54 61.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.094 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.88 7.38 62.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 71.51 112.492 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 100.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 73.31 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -63.71 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.831 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 m -110.28 119.88 40.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 74.34 111.14 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.74 134.48 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.909 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.07 135.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.113 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.871 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.51 86.9 3.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 75.14 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -17.6 37.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 65.41 112.337 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -62.56 -65.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.873 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.8 169.31 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.885 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.17 -24.63 7.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -8.21 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -111.3 16.57 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.911 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -178.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.953 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 m -67.57 115.71 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 75.52 110.906 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 t -124.19 48.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 73.24 111.138 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.99 152.3 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.912 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -86.78 120.15 27.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.896 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 63.87 42.49 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -77.11 -171.71 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 62.04 110.834 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -107.7 109.16 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -146.26 142.96 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 50.12 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -112.97 179.95 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.19 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.3 t -149.22 142.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 64.54 111.156 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.56 111.98 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 t -71.02 -17.64 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -46.8 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.897 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.56 32.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.883 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.87 79.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.87 114.88 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 74.44 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.95 138.02 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 72.14 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -105.92 57.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.8 m -50.66 144.47 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.12 110.861 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.882 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.862 0.363 . . . . 63.51 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -175.99 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -124.04 157.58 34.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.21 110.928 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.8 m -125.71 133.53 52.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 73.32 111.191 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.09 -163.12 17.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 75.12 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -136.69 158.87 43.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 74.24 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.84 -169.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.87 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.58 116.15 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 75.44 111.137 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -22.44 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.9 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -46.55 -75.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 63.34 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 10.99 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 75.22 110.89 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.73 119.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 70.45 110.86 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -179.84 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 109.46 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 149.81 31.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.908 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -168.77 -169.92 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.926 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 75.32 110.874 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -118.54 -41.59 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.892 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.37 34.55 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.904 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 73.82 23.22 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.105 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.33 -19.13 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 73.14 112.448 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 103.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 74.33 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.35 113.09 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.855 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -136.96 133.28 35.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 71.42 111.108 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -86.75 170.61 11.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.842 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 tp -177.57 122.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.089 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -74.77 143.81 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 75.15 110.909 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.79 107.56 0.79 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 74.33 110.867 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -40.14 5.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 73.55 112.288 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.88 -63.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.46 102.52 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.889 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.69 -7.19 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 71.52 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.29 -23.9 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.888 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -112.78 23.31 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.876 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.838 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.16 126.74 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.4 p -129.67 32.38 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.141 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.14 158.42 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.54 110.859 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -95.81 127.59 41.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.856 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 64.57 30.73 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -70.79 -169.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.917 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.91 108.95 19.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -143.6 141.18 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 75.55 110.905 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -121.87 122.37 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 75.22 111.119 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.1 t -83.72 136.03 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.1 111.18 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.54 99.82 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -67.5 -13.69 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.172 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.72 -47.69 63.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 24.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 73.3 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 51.79 87.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 105.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 74.41 111.097 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 p -87.19 147.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 62.24 111.181 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -92.58 60.84 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.911 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.4 p -58.86 138.52 57.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.852 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 64.43 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -128.6 124.99 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.45 128.21 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -99.5 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 61.23 111.142 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.86 -149.75 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 74.34 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -142.91 158.79 43.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 74.02 110.888 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.42 -168.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.06 113.31 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.164 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -20.58 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.882 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -49.98 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.862 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.69 7.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 74.2 110.875 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.25 108.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.88 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -175.69 110.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.9 t -84.06 123.18 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.865 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 149.03 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.888 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -158.4 -168.72 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 75.25 110.946 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 130.97 56.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.879 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.68 -74.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -57.15 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 73.13 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.73 24.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.23 111.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.51 -8.24 3.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 75.42 112.478 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.59 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 73.41 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.2 97.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 72.15 110.844 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -107.84 116.85 32.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.142 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -85.37 141.59 29.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.875 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 tp -145.26 125.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.14 111.14 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 178.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.9 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.4 t -110.75 78.11 1.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 73.32 110.873 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.02 36.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 71.34 112.352 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -51.29 -62.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 104.83 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -10.0 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.34 110.894 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -20.38 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.881 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -118.87 22.6 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 75.1 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.92 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.913 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.5 m -49.1 140.08 9.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 65.35 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.8 p -138.64 18.19 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.155 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.17 158.95 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.871 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.8 126.6 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.853 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 63.58 35.2 11.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 72.3 110.884 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -75.16 -167.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.886 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -103.61 107.55 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.11 110.856 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.13 -170.32 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.01 110.921 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.28 129.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.163 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.1 t -104.66 129.63 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 71.13 111.156 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.98 120.06 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.857 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -93.35 39.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 61.41 111.161 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -120.65 -33.4 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.51 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.25 16.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.87 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t30 51.36 87.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.867 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.98 114.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.3 111.088 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -91.75 143.31 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.02 111.113 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.29 55.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.2 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 p -51.81 141.04 18.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 61.45 110.858 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.809 0.338 . . . . 72.33 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -81.94 141.12 33.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 72.54 110.943 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.586 ' HA ' HG22 ' A' ' 44' ' ' THR . 8.3 m -115.87 135.74 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 60.31 111.12 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.03 -159.77 10.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 55.34 112.534 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.18 153.69 47.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.321 . . . . 71.31 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.99 -168.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.23 110.893 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -140.0 125.16 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.43 111.139 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -15.86 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.861 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -48.16 -60.09 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.876 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.07 12.88 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.897 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.11 114.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -173.03 96.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.99 121.88 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 148.83 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.54 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CD2' HG21 ' A' ' 45' ' ' VAL . 2.8 p90 -170.58 -170.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.25 52.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 63.43 110.907 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -101.98 -51.73 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.1 -40.0 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.907 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.48 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.96 18.2 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 54.12 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.78 105.94 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 73.21 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.2 97.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.888 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -122.03 136.25 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 65.51 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.69 151.88 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tp -155.99 135.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -65.11 177.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.856 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.53 79.23 7.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 54.54 110.83 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.61 37.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 65.43 112.295 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -60.69 -65.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 70.51 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 91.9 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.92 -12.14 61.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 71.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -23.62 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.922 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -120.06 34.34 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.893 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 173.94 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 61.4 110.876 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.9 m -59.47 117.11 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.857 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 p -127.35 15.71 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.114 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -127.66 160.11 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.924 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' OD2' HG22 ' A' ' 8' ' ' THR . 73.9 m-20 -91.74 124.22 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.846 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 62.07 39.32 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.6 p30 -77.14 -170.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.899 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -105.18 110.8 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 19.5 p -143.65 140.4 30.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.904 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' THR . 70.6 p -124.6 138.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.153 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 16' ' ' TYR . 87.0 t -96.25 133.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 63.52 111.138 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.27 88.1 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 35.55 110.867 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -63.99 -15.64 59.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 60.21 111.172 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -51.75 -37.68 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.28 22.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.7 t30 51.77 88.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.61 104.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.119 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 p -79.96 160.23 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 71.21 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -112.37 53.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.31 110.854 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 m -61.47 139.4 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.875 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 53.25 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.769 0.319 . . . . 74.21 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -104.79 155.98 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.04 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.527 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -117.31 134.94 54.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.185 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.91 -167.08 22.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.479 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -142.3 150.94 41.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.911 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.615 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -138.14 126.13 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.04 111.149 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -59.93 -17.82 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.905 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -49.74 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.876 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -125.43 12.42 8.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.91 110.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.843 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -169.29 95.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.39 112.4 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.89 150.85 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.874 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 3.0 p90 -163.86 -171.12 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.57 142.79 51.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 64.22 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -106.51 -54.74 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -46.65 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.857 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.4 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 111.094 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.19 11.36 2.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 50.34 112.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -68.06 103.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 54.23 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.41 94.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.848 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -111.89 130.26 55.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 61.03 111.124 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.17 128.05 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.5 118.84 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 62.34 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -61.91 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.924 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.17 79.89 1.71 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 64.43 110.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -17.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.73 2.287 . . . . 72.14 112.364 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -59.3 -65.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 64.41 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.07 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.875 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.25 -25.3 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 65.12 110.858 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.04 15.25 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.896 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -133.38 6.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 63.22 110.917 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 169.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 12.3 m -51.16 118.62 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.44 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -123.11 35.38 4.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -150.44 156.43 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.911 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.615 ' OD1' HG22 ' A' ' 8' ' ' THR . 67.8 m-20 -88.85 125.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.2 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 59.47 41.55 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.55 110.858 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.0 p30 -76.24 -171.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 70.21 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 111.88 24.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 62.4 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.37 142.21 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.11 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.8 p -120.65 125.14 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.111 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 92.2 t -89.57 144.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.093 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.75 103.74 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.852 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -71.55 -14.38 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.12 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -51.72 -36.72 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.939 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -156.37 23.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 65.15 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.35 94.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.12 116.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.074 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -99.84 144.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 70.22 111.136 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -100.96 68.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -51.23 154.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 73.31 110.893 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -120.23 177.49 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 65.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.49 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -133.91 152.77 51.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 61.13 111.15 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.26 -160.81 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 72.42 112.478 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 151.16 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 63.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.8 m -95.59 -175.88 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.41 109.84 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 73.44 111.118 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -21.29 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -44.37 -55.5 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.22 21.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.865 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 36' ' ' CYS . 0.3 OUTLIER 64.82 115.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 64.3 110.855 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.51 107.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.04 112.87 24.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 72.05 110.859 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 148.54 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.32 110.903 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 6.4 p90 -165.81 -169.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.004 0.431 . . . . 64.52 110.924 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.08 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 62.31 110.889 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -91.16 -52.98 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 61.44 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -42.92 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.41 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.05 14.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 74.34 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 102.68 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.75 0.31 . . . . 70.32 110.9 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -63.52 93.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.887 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -114.9 124.43 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.44 111.087 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.79 145.48 26.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -160.48 132.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.131 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -56.04 -179.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -110.21 81.0 2.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.722 . . . . 63.52 110.907 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 72.51 112.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -51.04 -62.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.871 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.33 150.16 27.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -103.36 -28.12 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -118.34 -11.43 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.11 110.858 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.41 20.27 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.901 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -174.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.451 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 38.7 m -54.71 142.69 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.843 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 p -152.12 19.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.133 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -144.43 166.16 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.23 119.83 38.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.893 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m120 64.47 45.18 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.1 p30 -85.65 -174.53 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.847 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -95.39 111.23 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -144.76 143.27 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.14 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 4' ' ' THR . 3.6 p -121.96 127.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 71.41 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.8 t -90.78 143.44 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 62.55 111.144 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.21 121.85 44.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -91.54 44.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 71.5 111.183 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -119.2 -31.7 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.945 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.5 29.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 43.11 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 m120 53.76 84.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.853 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' HB1' ' HG2' ' A' ' 30' ' ' LYS . . . -152.98 99.66 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 64.34 111.119 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 45' ' ' VAL . 4.7 p -88.72 148.45 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.167 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.64 52.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.85 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.68 138.0 36.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.84 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 73.33 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.16 148.38 31.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.3 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' HG22 ' A' ' 44' ' ' THR . 5.3 m -126.42 129.87 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.1 111.15 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 -155.36 7.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 72.51 112.513 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 150.68 40.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 64.4 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.91 -168.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 70.54 110.88 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.479 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -138.6 124.52 19.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.138 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.34 37.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.885 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -49.72 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 61.54 110.862 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.1 10.87 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.9 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -166.99 96.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -67.96 110.45 3.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 124.41 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.23 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.68 -169.69 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 117.6 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 71.1 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.92 -34.26 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.845 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 t0 -104.48 33.03 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.908 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.29 32.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.82 -21.04 1.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 54.24 112.475 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 113.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.326 . . . . 73.53 110.89 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.38 93.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 61.21 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -114.55 136.59 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.102 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.3 131.11 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.2 tp -136.02 118.45 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.04 111.124 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -59.18 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.901 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.83 82.0 2.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 73.44 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -18.44 37.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 75.41 112.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.98 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.9 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.5 142.59 46.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.904 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.07 2.96 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -135.38 14.42 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.902 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -137.7 9.26 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.726 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -51.2 164.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.866 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.38 117.96 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.726 HG23 ' HD2' ' A' ' 35' ' ' LYS . 6.8 p -124.75 38.44 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.081 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 156.49 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 64.04 110.896 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HG22 ' A' ' 8' ' ' THR . 63.1 m-20 -90.47 123.55 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 70.01 110.871 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 63.33 40.03 8.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.54 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -78.43 -169.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.86 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.49 109.9 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.892 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 25.9 p -144.45 126.29 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.909 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 4' ' ' THR . 2.4 p -106.13 131.08 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 61.43 111.108 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.34 144.2 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.88 119.42 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.852 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -94.94 25.19 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 63.4 111.172 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -105.07 -26.51 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.44 19.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.912 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 51.31 87.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.882 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.69 133.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 55.23 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.87 155.38 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 73.11 111.117 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.24 58.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -53.53 149.48 7.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.851 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.887 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.773 0.321 . . . . 75.31 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.93 152.07 48.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.927 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -116.95 136.16 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 61.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.82 -165.85 21.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 60.44 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 151.81 45.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 71.51 110.845 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 -168.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 53.41 110.865 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.07 124.67 22.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.135 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -18.92 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.54 110.923 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -49.03 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.832 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -124.05 9.19 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.903 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 65.24 118.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -178.69 96.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.918 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.42 109.81 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 146.31 28.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.34 110.895 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.49 -170.6 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.925 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 134.32 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.919 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -136.07 162.98 31.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 71.92 -69.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.03 27.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.129 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.33 6.51 9.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 71.03 112.546 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -68.77 131.58 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 73.13 110.891 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -71.09 116.64 11.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -129.68 129.06 43.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.134 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -104.44 138.39 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.2 tp -156.78 134.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.31 111.145 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -83.96 149.98 25.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -49.67 107.94 0.89 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 64.34 110.896 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -32.97 17.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 71.22 112.355 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -63.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.895 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.16 143.04 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.41 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -102.65 -21.24 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 63.14 110.882 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -10.74 9.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 21.31 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.891 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 37' ' ' THR . 7.0 pttm -67.31 -169.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.01 110.902 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 m -51.13 121.03 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.888 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 35' ' ' LYS . 42.2 p -125.12 40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.111 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.71 153.34 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.887 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -85.52 121.32 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.888 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.0 t30 60.25 46.05 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.9 p-10 -78.48 -172.2 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.923 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.91 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 p -145.56 139.9 27.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -120.4 120.89 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.59 139.36 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.155 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.89 120.99 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 52.45 110.865 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -91.0 45.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.98 -35.74 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.949 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 26.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 64.34 110.91 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 52.04 87.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.85 107.82 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 65.23 111.132 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.2 p -95.34 142.04 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 65.11 111.139 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.88 59.11 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.884 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 p -60.92 135.94 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.91 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.886 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.827 0.346 . . . . 74.43 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -85.06 135.68 33.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.91 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.8 m -104.44 129.93 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.14 111.164 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -158.68 8.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 62.11 112.54 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 158.46 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.97 -168.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.897 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.47 126.42 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.42 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -17.08 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.63 -57.84 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.896 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -151.34 20.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 71.24 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.27 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -162.41 85.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.66 115.62 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 40.3 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 148.81 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.889 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -165.27 -173.43 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.939 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 144.21 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -74.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.52 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.88 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.846 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.8 53.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.3 -10.62 26.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.522 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -52.14 105.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 74.31 110.935 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -56.42 99.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 70.54 110.862 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -116.65 122.2 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 75.44 111.118 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.14 139.68 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -144.02 125.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.143 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.911 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' HG11 ' A' ' 52' ' ' VAL . 33.0 t -108.67 85.92 3.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 70.32 110.84 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 72.14 112.37 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -61.51 -66.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.1 110.903 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.58 114.17 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.885 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.33 -7.53 53.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -112.1 -19.7 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.834 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.24 35.15 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.833 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -72.81 170.49 14.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 50.52 110.9 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.06 115.3 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 62.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.7 p -121.85 45.57 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 54.4 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 1.7 mmmp? -160.5 157.74 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 44.05 110.914 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 121.88 33.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 63.12 110.881 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 64.02 37.6 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.902 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 2.0 p-10 -75.02 -169.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -103.66 109.0 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -145.67 141.59 28.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.73 166.77 11.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 35.22 111.136 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 16' ' ' TYR . 42.2 t -136.94 125.35 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 44.12 111.137 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 123.76 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.857 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -100.1 22.7 10.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 42.3 111.183 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -122.93 -35.71 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -130.75 10.88 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 62.02 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 t30 51.57 71.75 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.57 130.7 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 71.14 111.08 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 28' ' ' CYS . 10.1 p -111.6 150.32 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 51.15 111.079 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.56 47.61 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 52.14 110.807 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.19 138.34 54.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.863 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 61.34 110.827 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.723 0.297 . . . . 74.42 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -118.07 147.23 43.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -122.81 136.88 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 72.21 111.139 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.21 -155.3 7.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 51.43 112.456 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 151.19 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 75.21 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.71 -169.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.09 124.32 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 70.13 111.125 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -17.08 53.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.902 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -52.14 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -125.01 11.45 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 71.24 110.853 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 t30 66.73 123.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.36 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.41 110.835 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.6 t -75.8 120.09 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.56 159.25 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.89 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' HG21 ' A' ' 45' ' ' VAL . 14.2 p90 -174.92 -169.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.16 136.1 54.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.91 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -135.86 163.89 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 74.33 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.86 -71.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.84 32.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.081 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.43 6.62 17.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 73.55 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 128.95 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 73.11 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -68.83 115.64 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -132.07 145.75 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 62.3 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -117.57 136.5 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.881 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 tp -140.18 127.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 62.11 110.89 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.3 74.7 1.54 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.589 0.709 . . . . 75.43 110.856 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.29 37.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.704 2.27 . . . . 55.25 112.331 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.641 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -60.07 -66.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.04 110.852 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.3 158.37 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 63.44 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.2 -23.14 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.1 110.824 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -17.73 12.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.21 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -116.23 21.98 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -71.5 -173.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.24 110.886 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m -69.96 114.6 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.869 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 p -122.22 32.12 5.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 64.14 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 156.31 43.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 74.21 110.902 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.29 120.97 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 64.79 41.63 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 62.21 110.893 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -78.05 -168.87 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.58 111.05 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.904 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.6 p -139.97 173.2 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.15 110.829 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.8 p -151.13 132.89 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.111 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 16' ' ' TYR . 90.2 t -92.25 144.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 55.35 111.13 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 112.9 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -95.01 25.75 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 41.11 111.11 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -116.85 -27.01 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 70.32 110.945 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -135.84 13.92 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 70.5 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 51.57 88.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -177.83 179.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.104 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -150.87 137.39 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.12 111.123 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -94.02 87.76 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.11 110.906 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 66.9 m -70.17 160.38 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.928 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.848 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 54.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.97 152.2 28.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.935 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.472 ' HA ' HG22 ' A' ' 44' ' ' THR . 32.1 m -117.07 135.32 53.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.32 111.15 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.02 -159.66 11.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 54.42 112.507 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -136.64 165.03 26.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 71.45 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 171.11 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 55.02 110.837 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.09 124.81 52.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 53.44 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -25.64 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -49.78 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -118.77 32.43 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 62.14 110.939 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 40.18 39.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.18 103.29 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 63.43 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.82 113.84 22.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 64.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 157.34 18.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.878 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE1' HG11 ' A' ' 45' ' ' VAL . 16.3 p90 -162.84 -171.47 2.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 136.25 54.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.41 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -136.55 166.64 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 60.12 110.892 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.46 -72.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.01 110.882 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.13 25.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 70.3 111.148 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.23 7.55 7.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 74.11 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -69.55 125.95 28.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 70.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.64 117.54 8.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.884 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.4 m -129.81 134.2 47.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 54.25 111.137 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.58 139.13 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.866 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 tp -147.21 129.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -169.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.879 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.4 77.15 2.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.648 0.737 . . . . 72.5 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -17.54 37.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 54.21 112.328 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -61.66 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.67 96.89 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -13.59 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.861 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.38 -19.36 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -125.3 42.23 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.911 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -174.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.9 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -69.01 114.76 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.04 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 46.37 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.23 111.111 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.87 156.76 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.924 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -92.66 124.61 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 75.12 110.895 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.9 35.4 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -74.13 -170.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.919 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -105.54 111.74 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.838 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 p -149.54 141.12 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 4' ' ' THR . 26.1 p -115.8 130.36 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 53.22 111.163 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 16' ' ' TYR . 95.9 t -95.98 144.35 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.176 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.35 117.39 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.844 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -88.04 -25.13 23.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.152 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.52 -22.97 53.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.936 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -118.52 -13.7 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 75.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.46 80.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 62.15 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.63 -173.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 152.0 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -111.23 72.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 61.32 110.845 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 m -51.93 160.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.874 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.842 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.821 0.343 . . . . 75.53 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.13 152.33 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.641 ' HA ' HG22 ' A' ' 44' ' ' THR . 14.9 m -122.55 133.99 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 52.01 111.152 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.68 -153.33 6.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.544 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 154.1 44.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 53.41 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -111.78 -168.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.883 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 128.88 26.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.18 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -14.22 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.861 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -47.24 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.872 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -131.9 19.77 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 51.11 110.907 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 t30 65.6 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.15 95.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 53.35 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.12 119.8 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 151.67 22.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' CD2' HG21 ' A' ' 45' ' ' VAL . 17.2 p90 -168.86 -171.21 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 72.14 110.926 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -120.29 136.77 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.24 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -137.23 167.0 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.875 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.1 -72.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 73.53 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.86 24.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 55.44 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.72 6.53 7.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.507 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -69.68 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.1 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.18 115.06 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.885 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -126.74 144.45 50.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 54.23 111.155 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.46 144.3 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -155.55 123.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.12 111.129 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.927 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -111.51 78.38 1.98 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.657 0.741 . . . . 73.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 73.55 112.328 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -57.14 -66.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 70.52 110.922 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 171.36 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.898 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -3.25 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.825 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.35 0.06 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 62.32 110.909 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -122.18 7.56 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.913 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 154.23 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.97 107.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -115.9 46.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.135 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -160.58 153.29 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.911 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -86.81 119.79 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 62.05 110.841 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.46 42.61 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.859 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -79.06 -169.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.887 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.32 110.41 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 60.33 110.897 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 32.1 p -147.66 135.32 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 4' ' ' THR . 5.3 p -109.99 146.88 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.128 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.679 HG22 HG23 ' A' ' 52' ' ' VAL . 90.9 t -115.95 144.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 64.35 111.117 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 134.16 53.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.842 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -109.61 8.05 24.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.128 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -116.35 -22.68 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.926 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -118.68 -12.7 9.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.829 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.24 81.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.49 166.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 75.15 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.679 HG23 HG22 ' A' ' 45' ' ' VAL . 2.5 p -130.07 160.37 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -120.15 61.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -50.63 154.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 70.42 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.875 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.799 0.333 . . . . 62.05 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -76.79 120.85 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 m -99.78 135.09 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.44 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.59 -152.72 6.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 50.11 112.486 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 154.34 44.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 64.24 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -108.72 -168.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.902 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.0 121.04 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -19.23 39.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.909 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -50.38 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.89 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.19 15.0 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 66.73 125.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 61.51 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.69 85.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.96 109.16 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.4 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 152.62 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.901 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -170.4 -169.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.92 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.17 145.04 47.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 65.51 110.869 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.26 -75.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 43.14 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -55.06 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.828 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.96 -39.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.74 21.21 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.672 -0.775 . . . . 64.22 112.478 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 74.43 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.47 95.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 61.13 110.858 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 m -103.89 138.23 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -106.88 138.27 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -133.66 125.72 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 73.32 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -55.12 178.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.911 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.13 84.49 2.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.654 0.74 . . . . 72.23 110.904 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.47 36.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 74.44 112.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.914 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.16 150.33 25.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.32 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.02 -27.6 8.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.94 -14.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.31 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -119.09 24.22 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -75.15 -169.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.918 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 7.8 m -58.27 110.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' LYS . 65.3 p -119.31 41.68 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.17 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.45 153.32 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.932 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.73 119.98 27.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.854 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 65.28 44.91 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.6 p30 -82.38 -169.38 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -101.13 109.15 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 16.9 p -151.49 140.95 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.859 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 p -112.54 -173.51 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.084 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.24 127.1 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -102.68 109.79 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -81.32 -0.08 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -82.07 -42.48 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.34 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 6.4 p30 -139.03 22.02 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.12 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 51.82 70.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.4 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -121.56 131.21 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.138 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -108.99 137.45 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 55.1 111.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.34 53.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 54.23 110.849 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.1 m -50.56 143.02 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 65.02 110.849 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.51 110.837 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HZ2' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.766 0.317 . . . . 54.51 110.88 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -101.55 153.22 19.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.945 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -116.55 135.26 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 71.5 111.15 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.29 -162.52 19.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 41.44 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 154.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 63.02 110.838 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -168.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 64.5 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 122.21 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 71.54 111.164 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -59.5 -18.56 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -49.11 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 72.45 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 10.52 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.856 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.14 94.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.2 m -70.19 108.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.925 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.66 148.05 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -163.59 -169.54 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -121.01 137.21 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -129.1 -41.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.881 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.99 32.48 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.31 47.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.42 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.83 5.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 42.4 112.481 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -51.8 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 72.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 100.01 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 74.53 110.85 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -121.67 141.56 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 61.14 111.172 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -98.1 144.24 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.1 tp -140.46 117.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.132 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -50.88 169.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 52' ' ' VAL . 3.6 m -111.51 78.4 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 72.25 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.2 34.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 72.12 112.387 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -52.0 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.75 98.01 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -7.54 53.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.3 11.88 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 53.5 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -153.45 22.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.881 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.41 168.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.883 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.7 m -51.38 117.11 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.815 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -126.71 37.43 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 75.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -149.95 155.11 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.889 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -89.65 120.86 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.866 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.46 41.01 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.0 p30 -78.15 -170.75 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.909 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -105.92 112.3 25.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.916 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.59 144.81 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.853 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.744 HG22 HG23 ' A' ' 4' ' ' THR . 34.8 p -121.05 139.47 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 60.41 111.128 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.23 140.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.135 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.65 112.74 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 54.42 110.85 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -94.85 26.32 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.168 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -116.63 -25.55 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.88 13.08 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.04 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m120 51.39 83.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.86 163.13 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 53.31 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 28' ' ' CYS . 3.4 p -137.07 151.35 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.14 111.176 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.86 55.75 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.51 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.8 m -63.72 134.97 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.782 0.325 . . . . 51.43 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -96.16 152.43 18.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -110.87 132.01 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.174 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.72 -160.6 10.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 62.44 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.54 153.58 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 72.43 110.877 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -100.49 -169.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.24 110.917 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.69 114.83 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.123 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -18.58 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 62.55 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -49.7 -67.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 71.24 110.88 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 23.41 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 120.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.886 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.98 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -95.57 119.77 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 156.14 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.831 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -166.48 -170.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.06 144.68 44.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 54.03 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.42 -72.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.87 62.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.119 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.53 6.53 62.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 70.43 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -58.46 100.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 72.03 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -61.67 94.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 60.03 110.833 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.0 m -116.02 118.37 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.155 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.35 126.1 29.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.891 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -132.12 121.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.181 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -56.05 177.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.936 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.22 82.36 2.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 74.21 110.862 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.28 37.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 64.22 112.395 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' CE ' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.55 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.893 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.51 88.02 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.87 -7.92 54.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 62.2 110.857 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.89 9.45 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -153.53 26.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.897 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -51.74 170.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.93 147.77 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.892 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -140.12 15.03 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 55.45 111.105 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -134.04 147.19 50.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.55 110.902 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 128.43 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.892 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 55.7 46.73 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 20.2 p30 -85.95 -168.62 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 71.22 110.878 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -98.88 108.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.56 140.67 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.861 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' THR . 25.2 p -120.12 128.24 53.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.115 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.43 132.61 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.083 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.54 92.21 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -66.35 -13.85 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 63.3 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -51.52 -37.62 50.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -153.35 26.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 71.12 110.901 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 51.77 81.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 30' ' ' LYS . . . -160.24 93.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 54.51 111.111 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -82.03 159.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.111 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.44 53.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.05 110.82 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.9 m -56.83 130.21 44.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.875 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.328 . . . . 65.42 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -120.05 150.67 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 44' ' ' THR . 60.2 m -121.71 136.07 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 60.24 111.13 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.06 -164.78 17.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.737 . . . . 55.41 112.512 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.19 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 72.32 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -168.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 126.28 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.111 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.4 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.919 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -49.46 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.827 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -128.27 14.64 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 73.12 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 t30 66.04 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -179.94 93.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.22 110.48 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 60.45 110.903 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.935 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.578 ' CG ' HG21 ' A' ' 45' ' ' VAL . 10.3 p90 -164.63 -173.46 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.881 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.72 136.57 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.48 -39.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 51.12 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -95.67 30.65 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.873 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.66 48.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.103 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.62 -22.88 5.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 64.14 112.438 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 63.11 110.927 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.25 94.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -107.19 131.89 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 52.43 111.172 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -99.29 126.93 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.878 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.73 124.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -68.55 -168.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.41 110.922 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' HA ' HG12 ' A' ' 52' ' ' VAL . 11.3 t -114.36 70.29 2.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 55.14 110.897 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.11 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 45.2 112.342 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.668 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -46.54 -59.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.87 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.23 -40.32 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.871 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.39 10.21 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 62.22 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.13 -37.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -111.39 26.97 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.33 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.44 168.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.95 120.96 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p -120.75 33.37 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 70.23 111.157 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -148.67 158.39 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 63.33 110.901 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.32 121.78 33.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.88 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.07 37.82 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.8 p-10 -72.49 -170.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.74 112.38 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.22 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 p -146.28 138.86 25.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 64.53 110.919 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 4' ' ' THR . 17.9 p -117.12 129.89 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.13 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.656 HG22 HG23 ' A' ' 52' ' ' VAL . 91.9 t -84.06 143.99 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 73.51 111.157 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.27 89.01 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.3 p -63.35 -16.16 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 72.21 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -51.59 -43.43 62.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.64 22.32 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 54.55 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 51.67 83.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -165.13 109.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 72.42 111.062 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -75.58 148.06 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.124 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -102.08 56.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -51.0 147.82 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.846 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 71.54 110.886 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 75.31 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -109.96 145.29 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.7 m -115.21 137.79 51.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.38 -157.22 9.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 64.13 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 154.46 44.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 70.54 110.931 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -109.69 -169.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 43.45 110.889 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -139.74 124.43 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 51.43 111.192 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -17.1 51.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.888 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -50.39 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 70.12 110.859 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -119.27 8.23 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 62.34 110.887 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.24 111.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.15 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -173.4 101.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 54.31 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 114.91 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 70.43 110.837 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.5 ttpp -81.5 145.97 30.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 65.45 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 45' ' ' VAL . 16.2 p90 -164.65 -177.95 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.1 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.29 146.04 48.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 72.45 110.937 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -137.19 -41.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.929 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -95.5 30.28 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.895 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.25 48.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.82 -23.33 5.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 61.01 112.466 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.83 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.307 . . . . 73.24 110.928 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.75 98.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.839 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.3 m -109.25 125.25 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 71.44 111.15 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -98.99 126.85 44.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 75.31 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 tp -134.47 124.13 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.146 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -169.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 55.41 110.883 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -110.96 79.28 1.85 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 65.25 110.902 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -17.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 63.03 112.363 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -63.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.31 -169.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.837 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.23 -39.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.929 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 13.54 17.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -125.42 1.33 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 63.13 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.5 OUTLIER -50.01 165.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.865 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 13.4 m -51.46 113.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.89 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HD2' ' A' ' 35' ' ' LYS . 10.4 p -120.13 34.4 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.44 111.103 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -147.77 155.45 41.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 54.51 110.876 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' OD2' HG22 ' A' ' 8' ' ' THR . 33.1 m-20 -88.42 121.27 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.827 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 64.36 42.41 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -79.08 -169.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -103.21 111.67 24.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.0 p -147.93 138.67 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.13 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -118.12 130.6 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.208 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 16' ' ' TYR . 93.7 t -95.89 143.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 61.14 111.144 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.69 89.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.842 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 p -64.87 -15.35 61.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.5 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.36 -45.0 65.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 61.43 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -141.79 21.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.53 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 71.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.51 128.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.118 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.77 150.4 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 60.22 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.73 64.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.6 m -51.01 158.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.01 110.843 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 74.42 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -91.84 153.08 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 44' ' ' THR . 9.3 m -131.68 135.98 47.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 75.42 111.113 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.88 -153.37 6.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 61.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 150.43 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 73.42 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 168.79 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.18 121.65 29.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 42.01 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -16.36 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.87 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.88 -59.96 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -144.09 14.03 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.76 117.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 55.14 110.894 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.46 109.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.901 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.43 119.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 52.44 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 153.41 22.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.881 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -174.54 -169.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -118.72 147.09 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -71.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 65.45 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -74.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 74.53 110.945 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.24 60.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 61.21 111.121 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.31 6.21 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 73.42 112.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 105.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 74.23 110.915 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.77 94.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -122.53 133.66 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.05 132.94 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.896 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.5 tp -129.71 119.69 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.54 175.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.04 110.884 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.7 m -111.71 77.38 1.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 64.41 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.1 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 74.23 112.368 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -65.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.7 89.53 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -67.38 -13.28 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 52.3 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.67 -23.82 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.867 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.74 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.913 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -66.27 -174.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.926 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 34.7 m -51.91 138.35 24.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 72.44 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -145.14 14.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.142 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -141.59 177.74 7.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.903 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -113.69 129.83 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.01 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 41' ' ' ASN . 2.4 p30 -67.57 -173.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.86 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -100.55 117.41 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.43 110.933 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.44 139.55 25.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.32 110.831 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 4' ' ' THR . 57.0 p -120.16 144.55 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.163 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 52' ' ' VAL . 86.4 t -111.39 139.86 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.159 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.55 118.15 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.35 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -89.98 46.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 61.2 111.173 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -120.93 -33.01 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.99 24.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.858 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 51.49 83.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.26 108.64 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 40.35 111.086 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG22 ' A' ' 45' ' ' VAL . 3.8 p -93.17 162.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 63.4 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -115.49 56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.843 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 53.3 m -61.34 140.81 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.864 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 74.45 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -115.21 122.3 45.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.474 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -98.72 131.03 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 75.25 111.159 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.15 -160.78 10.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.42 153.46 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 75.32 110.876 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.73 -168.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.895 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.91 126.52 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.136 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -15.85 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 62.02 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 t -48.96 -62.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.842 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 11.89 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 71.04 110.867 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.65 109.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.89 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -169.68 92.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.909 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.21 124.4 22.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.885 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -85.18 142.6 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.896 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 3.9 p90 -172.56 -171.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 54.15 110.941 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 144.13 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.899 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.659 HD22 ' HE3' ' A' ' 22' ' ' LYS . 3.2 p-10 -106.99 -52.98 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 -43.13 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.855 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.53 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.13 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.36 9.34 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 71.34 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.659 ' HE3' HD22 ' A' ' 18' ' ' ASN . 6.1 mtmt -68.49 106.08 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 73.13 110.891 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.55 94.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.879 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.8 m -118.72 136.7 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -92.82 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 45' ' ' VAL . 6.7 tp -136.64 123.59 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 70.33 111.138 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.876 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.94 76.78 1.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 72.33 110.89 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -18.89 36.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 73.23 112.364 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -63.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.44 110.896 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.67 165.19 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 72.54 110.867 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.23 -27.86 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.61 18.5 8.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.909 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -138.45 10.88 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 64.1 110.862 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -53.71 166.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.89 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.8 m -51.23 107.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 p -119.29 32.11 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.138 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -144.18 156.24 44.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 65.15 110.937 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.87 120.96 30.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.835 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.95 41.14 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -78.07 -169.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.852 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -105.33 111.54 24.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 70.32 110.924 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 31.7 p -143.12 134.47 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 4' ' ' THR . 16.9 p -117.64 122.32 43.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.102 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 26' ' ' ILE . 79.2 t -88.29 144.52 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.131 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 116.59 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.867 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -92.04 40.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 52.34 111.162 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -120.49 -32.61 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.909 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -150.55 19.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.87 96.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 53.5 111.095 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.61 149.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.41 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.29 70.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -53.36 167.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 63.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.797 0.332 . . . . 71.43 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -86.37 135.8 33.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.947 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 44' ' ' THR . 4.6 m -105.23 130.5 53.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.162 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.7 -160.09 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 72.31 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 166.05 23.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 74.44 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -121.4 -169.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.902 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.06 122.62 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.178 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -22.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.929 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -65.22 86.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.83 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.27 9.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.908 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.05 135.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.55 110.883 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -178.33 93.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.2 110.856 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.74 125.96 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.52 110.884 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.56 144.35 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.916 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 2.9 p90 -158.53 -169.1 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.92 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -120.04 117.34 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -117.05 174.49 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 62.01 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.61 -73.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 50.14 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.06 27.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 72.05 111.069 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.24 5.03 8.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.706 . . . . 63.04 112.515 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.97 127.67 33.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 65.13 110.884 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.15 117.58 15.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -139.73 141.62 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.21 111.161 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -95.53 162.37 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -169.86 123.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -60.72 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HA ' HG11 ' A' ' 52' ' ' VAL . 28.3 t -107.78 88.24 4.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 65.31 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 74.51 112.335 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -57.23 -68.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.66 161.57 17.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.861 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.69 -17.71 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 64.42 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.35 18.69 9.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.897 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -141.97 20.01 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.13 110.894 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -65.63 167.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.905 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 m -50.83 111.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.14 110.933 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 35' ' ' LYS . 32.5 p -119.06 47.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 64.23 111.172 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.68 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -91.67 123.27 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.833 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.11 39.24 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.848 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -78.76 -168.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.895 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -103.95 110.31 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.1 p -150.3 139.49 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 51.43 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 4' ' ' THR . 67.1 p -110.21 176.15 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 70.01 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.9 t -149.56 126.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.12 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.887 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -98.86 21.99 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.141 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -119.7 -39.7 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.61 15.19 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.24 110.891 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t30 51.61 78.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -130.71 126.35 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.33 111.092 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 54' ' ' CYS . 8.3 p -113.42 147.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -116.21 42.27 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.925 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' VAL . 10.1 p -55.6 137.84 48.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.903 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.897 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.329 . . . . 72.44 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.24 151.7 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.962 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 44' ' ' THR . 91.3 m -128.72 143.79 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.18 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.92 24.4 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 61.05 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 151.79 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 62.14 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -168.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.879 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.79 123.83 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 75.2 111.158 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -18.88 33.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.872 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -47.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 54.33 110.874 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.93 12.29 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 44.14 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.53 115.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.39 92.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 65.03 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.48 112.95 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 54.4 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.84 150.3 25.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.889 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.79 -179.85 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.932 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 151.11 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.891 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.96 -71.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.85 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.56 -74.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.54 61.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.094 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.88 7.38 62.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 71.51 112.492 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 100.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 71.22 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -63.71 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.831 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 m -110.28 119.88 40.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 70.2 111.14 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.74 134.48 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.909 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.07 135.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.113 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.871 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.51 86.9 3.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 75.14 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.78 -17.6 37.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 63.41 112.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -62.56 -65.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.873 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.8 169.31 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.885 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.17 -24.63 7.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -8.21 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -111.3 16.57 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.911 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -178.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.953 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 m -67.57 115.71 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.04 110.906 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 t -124.19 48.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.138 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -159.99 152.3 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.912 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -86.78 120.15 27.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.896 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 63.87 42.49 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -77.11 -171.71 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 62.04 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -107.7 109.16 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -146.26 142.96 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 30.25 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 4' ' ' THR . 12.1 p -112.97 179.95 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.19 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 16' ' ' TYR . 59.3 t -149.22 142.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.56 111.98 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 t -71.02 -17.64 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -46.8 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.897 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -150.56 32.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 61.21 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.87 79.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.87 114.88 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG11 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -105.95 138.02 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 71.31 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -105.92 57.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.8 m -50.66 144.47 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.12 110.861 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.882 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.789 0.328 . . . . 73.23 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -124.04 157.58 34.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.21 110.928 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.597 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -125.71 133.53 52.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 73.32 111.191 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.09 -163.12 17.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 75.12 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -136.69 158.87 43.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 74.24 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.84 -169.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.87 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -133.58 116.15 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 44.23 111.137 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -22.44 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.9 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -46.55 -75.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.12 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 10.99 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 73.13 110.89 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.73 119.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.15 110.86 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -179.84 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 109.46 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 149.81 31.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 64.22 110.908 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.603 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.77 -169.92 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.926 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.23 110.874 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.54 -41.59 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.892 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -96.37 34.55 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.904 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.82 23.22 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 54.11 111.105 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.33 -19.13 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 63.53 112.448 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 103.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 64.44 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.35 113.09 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.855 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -136.96 133.28 35.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 51.14 111.108 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -86.75 170.61 11.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.842 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -177.57 122.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.089 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -74.77 143.81 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 55.22 110.909 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -48.79 107.56 0.79 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 74.33 110.867 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' HG12 ' A' ' 52' ' ' VAL . 53.2 Cg_endo -69.83 -40.14 5.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 60.44 112.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.88 -63.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.46 102.52 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.69 -7.19 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.29 -23.9 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.888 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -112.78 23.31 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.876 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -60.69 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.838 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.16 126.74 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 35' ' ' LYS . 71.4 p -129.67 32.38 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.141 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -151.14 158.42 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.859 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 8' ' ' THR . 34.2 m-20 -95.81 127.59 41.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.856 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 64.57 30.73 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.3 p30 -70.79 -169.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.917 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.91 108.95 19.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 71.2 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -143.6 141.18 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.905 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -121.87 122.37 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 61.31 111.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.603 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 90.1 t -83.72 136.03 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.33 111.18 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.54 99.82 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -67.5 -13.69 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.172 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.72 -47.69 63.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 24.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 73.3 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 51.79 87.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 105.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 60.32 111.097 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.7 p -87.19 147.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 61.44 111.181 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -92.58 60.84 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.911 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.4 p -58.86 138.52 57.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 65.02 110.852 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 60.52 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.45 128.21 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -99.5 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 61.14 111.142 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.86 -149.75 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 43.54 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -142.91 158.79 43.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.34 110.888 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.42 -168.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.06 113.31 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.164 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -20.58 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.882 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -49.98 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.862 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.69 7.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.25 108.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 60.35 110.88 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -175.69 110.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG21 ' A' ' 52' ' ' VAL . 40.9 t -84.06 123.18 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.865 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 149.03 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.888 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' HG21 ' A' ' 45' ' ' VAL . 22.3 p90 -158.4 -168.72 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 64.53 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 130.97 56.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.879 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.68 -74.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.32 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -57.15 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.73 24.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.51 -8.24 3.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 35.22 112.478 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.59 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 62.34 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.2 97.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.12 110.844 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -107.84 116.85 32.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.142 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -85.37 141.59 29.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.875 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -145.26 125.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 53.43 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 178.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.9 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.4 t -110.75 78.11 1.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 73.25 110.873 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.02 36.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 53.5 112.352 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -51.29 -62.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 104.83 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -10.0 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.34 110.894 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -20.38 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.881 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -118.87 22.6 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.5 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -57.92 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.913 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.5 m -49.1 140.08 9.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 65.35 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 35' ' ' LYS . 49.8 p -138.64 18.19 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.155 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -152.17 158.95 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.871 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.8 126.6 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.853 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 63.58 35.2 11.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 25.4 110.884 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 17.3 p30 -75.16 -167.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -103.61 107.55 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.856 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.13 -170.32 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.01 110.921 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.28 129.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.163 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 16' ' ' TYR . 90.1 t -104.66 129.63 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 61.35 111.156 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.98 120.06 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.857 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -93.35 39.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 34.55 111.161 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -120.65 -33.4 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.25 16.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.87 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t30 51.36 87.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.867 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.98 114.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.3 111.088 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 14' ' ' CYS . 2.4 p -91.75 143.31 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.14 111.113 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.29 55.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 p -51.81 141.04 18.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 60.53 110.858 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.825 0.345 . . . . 71.14 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -81.94 141.12 33.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 72.54 110.943 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.586 ' HA ' HG22 ' A' ' 44' ' ' THR . 8.3 m -115.87 135.74 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 60.31 111.12 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.03 -159.77 10.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 55.34 112.534 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.18 153.69 47.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.321 . . . . 71.31 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.99 -168.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.23 110.893 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -140.0 125.16 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.43 111.139 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -15.86 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.861 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -48.16 -60.09 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.876 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.07 12.88 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.897 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.11 114.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -173.03 96.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.99 121.88 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 148.83 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.54 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CD2' HG21 ' A' ' 45' ' ' VAL . 2.8 p90 -170.58 -170.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.25 52.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 63.43 110.907 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -101.98 -51.73 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.1 -40.0 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.907 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.48 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.96 18.2 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 54.12 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.78 105.94 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 73.21 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.2 97.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.888 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -122.03 136.25 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 65.51 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.69 151.88 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tp -155.99 135.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -65.11 177.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.856 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.53 79.23 7.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 54.54 110.83 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.61 37.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 65.43 112.295 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -60.69 -65.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 70.51 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 91.9 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.92 -12.14 61.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 71.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -23.62 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.922 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -120.06 34.34 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.893 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 173.94 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 61.4 110.876 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.9 m -59.47 117.11 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.857 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 p -127.35 15.71 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.114 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -127.66 160.11 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.924 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' OD2' HG22 ' A' ' 8' ' ' THR . 73.9 m-20 -91.74 124.22 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.846 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 62.07 39.32 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.6 p30 -77.14 -170.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.899 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -105.18 110.8 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 19.5 p -143.65 140.4 30.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.904 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' THR . 70.6 p -124.6 138.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.153 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 16' ' ' TYR . 87.0 t -96.25 133.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 63.52 111.138 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.27 88.1 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 35.55 110.867 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -63.99 -15.64 59.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 60.21 111.172 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -51.75 -37.68 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.28 22.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.7 t30 51.77 88.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.61 104.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.119 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 p -79.96 160.23 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 71.21 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -112.37 53.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.31 110.854 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 m -61.47 139.4 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.875 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 53.25 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.82 0.343 . . . . 71.33 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 121.51 41.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.928 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -104.79 155.98 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.04 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.527 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -117.31 134.94 54.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.185 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.91 -167.08 22.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.479 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -142.3 150.94 41.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.911 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.615 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -138.14 126.13 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.04 111.149 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -59.93 -17.82 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.905 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -49.74 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.876 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -125.43 12.42 8.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.91 110.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.843 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -169.29 95.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.39 112.4 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.89 150.85 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.874 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 3.0 p90 -163.86 -171.12 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.57 142.79 51.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 64.22 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -106.51 -54.74 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -46.65 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.857 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.4 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 111.094 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.19 11.36 2.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 50.34 112.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -68.06 103.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 54.23 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.41 94.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.848 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -111.89 130.26 55.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 61.03 111.124 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.17 128.05 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.5 118.84 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 62.34 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -61.91 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.924 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.17 79.89 1.71 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 64.43 110.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -17.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.73 2.287 . . . . 72.14 112.364 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -59.3 -65.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 64.41 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.07 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.875 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.25 -25.3 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 65.12 110.858 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.04 15.25 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.896 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -133.38 6.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 63.22 110.917 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 169.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 12.3 m -51.16 118.62 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.44 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -123.11 35.38 4.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -150.44 156.43 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.911 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.615 ' OD1' HG22 ' A' ' 8' ' ' THR . 67.8 m-20 -88.85 125.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.2 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 59.47 41.55 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.55 110.858 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.0 p30 -76.24 -171.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 70.21 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 111.88 24.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 62.4 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.37 142.21 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.11 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.8 p -120.65 125.14 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.111 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 92.2 t -89.57 144.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.093 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.75 103.74 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.852 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -71.55 -14.38 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.12 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -51.72 -36.72 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.939 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -156.37 23.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 65.15 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.35 94.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.12 116.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.074 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -99.84 144.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 70.22 111.136 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -100.96 68.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -51.23 154.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.369 . . . . 64.44 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.85 158.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 73.31 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -120.23 177.49 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 65.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.49 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -133.91 152.77 51.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 61.13 111.15 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.26 -160.81 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 72.42 112.478 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 151.16 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 63.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.8 m -95.59 -175.88 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.41 109.84 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 73.44 111.118 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -21.29 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -44.37 -55.5 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.22 21.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.865 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.451 ' ND2' ' HB2' ' A' ' 36' ' ' CYS . 0.3 OUTLIER 64.82 115.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 64.3 110.855 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.51 107.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.04 112.87 24.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 72.05 110.859 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 148.54 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.32 110.903 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 6.4 p90 -165.81 -169.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.004 0.431 . . . . 64.52 110.924 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.08 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 62.31 110.889 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -91.16 -52.98 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 61.44 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -42.92 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.41 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.05 14.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 74.34 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 102.68 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.75 0.31 . . . . 70.32 110.9 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -63.52 93.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.887 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -114.9 124.43 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.44 111.087 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.79 145.48 26.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -160.48 132.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.131 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -56.04 -179.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -110.21 81.0 2.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.722 . . . . 63.52 110.907 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 72.51 112.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -51.04 -62.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.871 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.33 150.16 27.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -103.36 -28.12 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -118.34 -11.43 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.11 110.858 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.41 20.27 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.901 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -174.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.451 ' HB2' ' ND2' ' A' ' 12' ' ' ASN . 38.7 m -54.71 142.69 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.843 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 p -152.12 19.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.133 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -144.43 166.16 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.23 119.83 38.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.893 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m120 64.47 45.18 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.1 p30 -85.65 -174.53 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.847 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -95.39 111.23 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -144.76 143.27 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.14 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 4' ' ' THR . 3.6 p -121.96 127.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 71.41 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.8 t -90.78 143.44 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 62.55 111.144 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.21 121.85 44.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -91.54 44.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 71.5 111.183 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -119.2 -31.7 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.945 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.5 29.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 43.11 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 m120 53.76 84.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.853 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' HB1' ' HG2' ' A' ' 30' ' ' LYS . . . -152.98 99.66 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 64.34 111.119 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 45' ' ' VAL . 4.7 p -88.72 148.45 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.167 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.64 52.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.85 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.68 138.0 36.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.84 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.363 . . . . 73.13 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.67 147.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.16 148.38 31.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.3 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' HG22 ' A' ' 44' ' ' THR . 5.3 m -126.42 129.87 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.1 111.15 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 -155.36 7.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 72.51 112.513 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 150.68 40.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 64.4 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.91 -168.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 70.54 110.88 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.479 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -138.6 124.52 19.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.138 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.34 37.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.885 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -49.72 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 61.54 110.862 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.1 10.87 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.9 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -166.99 96.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -67.96 110.45 3.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 124.41 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.23 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.68 -169.69 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 117.6 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 71.1 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.92 -34.26 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.845 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 t0 -104.48 33.03 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.908 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.29 32.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.82 -21.04 1.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 54.24 112.475 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 113.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.326 . . . . 73.53 110.89 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.38 93.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 61.21 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -114.55 136.59 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.102 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.3 131.11 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.2 tp -136.02 118.45 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.04 111.124 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -59.18 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.901 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.83 82.0 2.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 73.44 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -18.44 37.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 75.41 112.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.98 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.9 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.5 142.59 46.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.904 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.07 2.96 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -135.38 14.42 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.902 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -137.7 9.26 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.726 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -51.2 164.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.866 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.38 117.96 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.726 HG23 ' HD2' ' A' ' 35' ' ' LYS . 6.8 p -124.75 38.44 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.081 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 156.49 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 64.04 110.896 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HG22 ' A' ' 8' ' ' THR . 63.1 m-20 -90.47 123.55 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 70.01 110.871 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 63.33 40.03 8.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.54 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -78.43 -169.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.86 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.49 109.9 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.892 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 25.9 p -144.45 126.29 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.909 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 4' ' ' THR . 2.4 p -106.13 131.08 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 61.43 111.108 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.34 144.2 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.88 119.42 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.852 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -94.94 25.19 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 63.4 111.172 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -105.07 -26.51 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.44 19.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.912 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 51.31 87.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.882 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.69 133.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 55.23 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.87 155.38 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 73.11 111.117 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.24 58.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -53.53 149.48 7.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.851 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.887 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.835 0.35 . . . . 72.11 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.43 -176.94 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.93 152.07 48.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.927 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -116.95 136.16 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 61.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.82 -165.85 21.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 60.44 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 151.81 45.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 71.51 110.845 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 -168.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 53.41 110.865 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.07 124.67 22.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.135 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -18.92 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.54 110.923 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -49.03 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.832 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -124.05 9.19 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.903 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 65.24 118.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -178.69 96.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.918 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.42 109.81 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 146.31 28.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.34 110.895 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.49 -170.6 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.925 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 134.32 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.919 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -136.07 162.98 31.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.861 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 71.92 -69.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.03 27.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.129 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.33 6.51 9.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 71.03 112.546 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -68.77 131.58 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 73.13 110.891 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -71.09 116.64 11.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -129.68 129.06 43.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.134 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -104.44 138.39 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.2 tp -156.78 134.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.31 111.145 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -83.96 149.98 25.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -49.67 107.94 0.89 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 64.34 110.896 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -32.97 17.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 71.22 112.355 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -63.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.895 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.16 143.04 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.41 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -102.65 -21.24 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 63.14 110.882 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -10.74 9.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 21.31 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.891 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 37' ' ' THR . 7.0 pttm -67.31 -169.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.01 110.902 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 m -51.13 121.03 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.888 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 35' ' ' LYS . 42.2 p -125.12 40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.111 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.71 153.34 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.887 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -85.52 121.32 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.888 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.0 t30 60.25 46.05 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.9 p-10 -78.48 -172.2 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.923 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.91 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 p -145.56 139.9 27.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -120.4 120.89 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.59 139.36 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.155 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.89 120.99 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 52.45 110.865 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -91.0 45.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.98 -35.74 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.949 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 26.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 64.34 110.91 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 52.04 87.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.85 107.82 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 65.23 111.132 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.2 p -95.34 142.04 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 65.11 111.139 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.88 59.11 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.884 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 p -60.92 135.94 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.91 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.886 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 45.15 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.906 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -85.06 135.68 33.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.91 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.8 m -104.44 129.93 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.14 111.164 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -158.68 8.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 62.11 112.54 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 158.46 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.97 -168.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.897 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.47 126.42 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.42 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -17.08 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.63 -57.84 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.896 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -151.34 20.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 71.24 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.27 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -162.41 85.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.66 115.62 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 40.3 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 148.81 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.889 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -165.27 -173.43 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.939 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 144.21 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -74.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.52 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.88 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.846 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.8 53.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.3 -10.62 26.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.522 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -52.14 105.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 74.31 110.935 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -56.42 99.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 70.54 110.862 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -116.65 122.2 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 75.44 111.118 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.14 139.68 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -144.02 125.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.143 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.911 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' HG11 ' A' ' 52' ' ' VAL . 33.0 t -108.67 85.92 3.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 70.32 110.84 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 72.14 112.37 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -61.51 -66.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.1 110.903 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.58 114.17 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.885 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.33 -7.53 53.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -112.1 -19.7 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.834 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.24 35.15 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.833 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -72.81 170.49 14.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 50.52 110.9 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.06 115.3 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 62.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.7 p -121.85 45.57 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 54.4 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 1.7 mmmp? -160.5 157.74 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 44.05 110.914 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 121.88 33.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 63.12 110.881 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 64.02 37.6 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.902 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 2.0 p-10 -75.02 -169.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -103.66 109.0 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -145.67 141.59 28.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.73 166.77 11.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 35.22 111.136 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 16' ' ' TYR . 42.2 t -136.94 125.35 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 44.12 111.137 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 123.76 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.857 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -100.1 22.7 10.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 42.3 111.183 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -122.93 -35.71 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -130.75 10.88 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 62.02 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 t30 51.57 71.75 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.57 130.7 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 71.14 111.08 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 28' ' ' CYS . 10.1 p -111.6 150.32 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 51.15 111.079 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.56 47.61 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 52.14 110.807 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.19 138.34 54.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.863 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 61.34 110.827 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.844 0.354 . . . . 64.24 111.087 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 152.74 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -118.07 147.23 43.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -122.81 136.88 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 72.21 111.139 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.21 -155.3 7.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 51.43 112.456 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 151.19 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 75.21 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.71 -169.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.09 124.32 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 70.13 111.125 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -17.08 53.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.902 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -52.14 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -125.01 11.45 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 71.24 110.853 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 t30 66.73 123.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.36 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.41 110.835 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.6 t -75.8 120.09 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.56 159.25 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.89 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' HG21 ' A' ' 45' ' ' VAL . 14.2 p90 -174.92 -169.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.16 136.1 54.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.91 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -135.86 163.89 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 74.33 110.883 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.86 -71.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.84 32.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.081 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.43 6.62 17.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 73.55 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 128.95 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 73.11 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -68.83 115.64 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -132.07 145.75 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 62.3 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -117.57 136.5 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.881 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 tp -140.18 127.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 62.11 110.89 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.3 74.7 1.54 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.589 0.709 . . . . 75.43 110.856 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.29 37.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.704 2.27 . . . . 55.25 112.331 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.641 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -60.07 -66.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.04 110.852 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.3 158.37 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 63.44 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.2 -23.14 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.1 110.824 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -17.73 12.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.21 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -116.23 21.98 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -71.5 -173.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.24 110.886 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m -69.96 114.6 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.869 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 p -122.22 32.12 5.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 64.14 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 156.31 43.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 74.21 110.902 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.29 120.97 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 64.79 41.63 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 62.21 110.893 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -78.05 -168.87 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.58 111.05 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.904 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.6 p -139.97 173.2 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.15 110.829 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.8 p -151.13 132.89 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.111 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 16' ' ' TYR . 90.2 t -92.25 144.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 55.35 111.13 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 112.9 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -95.01 25.75 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 41.11 111.11 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -116.85 -27.01 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 70.32 110.945 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -135.84 13.92 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 70.5 110.888 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 51.57 88.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -177.83 179.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.104 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -150.87 137.39 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.12 111.123 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -94.02 87.76 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.11 110.906 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 66.9 m -70.17 160.38 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.928 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.848 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 75.01 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 138.6 45.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 54.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.97 152.2 28.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.935 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.472 ' HA ' HG22 ' A' ' 44' ' ' THR . 32.1 m -117.07 135.32 53.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.32 111.15 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.02 -159.66 11.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 54.42 112.507 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -136.64 165.03 26.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 71.45 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 171.11 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 55.02 110.837 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.09 124.81 52.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 53.44 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -25.64 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -49.78 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -118.77 32.43 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 62.14 110.939 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 40.18 39.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.18 103.29 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 63.43 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.82 113.84 22.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 64.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 157.34 18.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.878 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE1' HG11 ' A' ' 45' ' ' VAL . 16.3 p90 -162.84 -171.47 2.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 136.25 54.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.41 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -136.55 166.64 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 60.12 110.892 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.46 -72.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.01 110.882 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.13 25.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 70.3 111.148 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.23 7.55 7.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 74.11 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -69.55 125.95 28.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 70.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.64 117.54 8.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.884 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.4 m -129.81 134.2 47.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 54.25 111.137 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.58 139.13 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.866 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 tp -147.21 129.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -169.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.879 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.4 77.15 2.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.648 0.737 . . . . 72.5 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -17.54 37.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 54.21 112.328 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -61.66 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.67 96.89 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -13.59 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.861 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.38 -19.36 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -125.3 42.23 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.911 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -174.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.9 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -69.01 114.76 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.04 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 46.37 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.23 111.111 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.87 156.76 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.924 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -92.66 124.61 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 75.12 110.895 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.9 35.4 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -74.13 -170.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.919 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -105.54 111.74 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.838 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 p -149.54 141.12 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 4' ' ' THR . 26.1 p -115.8 130.36 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 53.22 111.163 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 16' ' ' TYR . 95.9 t -95.98 144.35 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.176 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.35 117.39 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.844 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -88.04 -25.13 23.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.152 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.52 -22.97 53.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.936 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -118.52 -13.7 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 75.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.46 80.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 62.15 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.63 -173.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 152.0 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -111.23 72.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 61.32 110.845 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 m -51.93 160.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.874 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.842 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.855 0.36 . . . . 40.43 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.34 153.89 11.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.13 152.33 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.641 ' HA ' HG22 ' A' ' 44' ' ' THR . 14.9 m -122.55 133.99 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 52.01 111.152 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.68 -153.33 6.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.544 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 154.1 44.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 53.41 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -111.78 -168.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.883 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 128.88 26.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.18 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -14.22 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.861 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -47.24 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.872 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -131.9 19.77 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 51.11 110.907 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 t30 65.6 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.15 95.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 53.35 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.12 119.8 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 151.67 22.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' CD2' HG21 ' A' ' 45' ' ' VAL . 17.2 p90 -168.86 -171.21 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 72.14 110.926 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -120.29 136.77 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.24 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -137.23 167.0 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.875 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.1 -72.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 73.53 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.86 24.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 55.44 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.72 6.53 7.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.507 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -69.68 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.1 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.18 115.06 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.885 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -126.74 144.45 50.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 54.23 111.155 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.46 144.3 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -155.55 123.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.12 111.129 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.927 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -111.51 78.38 1.98 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.657 0.741 . . . . 73.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 73.55 112.328 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -57.14 -66.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 70.52 110.922 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 171.36 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.898 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -3.25 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.825 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.35 0.06 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 62.32 110.909 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -122.18 7.56 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.913 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 154.23 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.97 107.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -115.9 46.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.135 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -160.58 153.29 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.911 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -86.81 119.79 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 62.05 110.841 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.46 42.61 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.859 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -79.06 -169.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.887 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.32 110.41 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 60.33 110.897 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 32.1 p -147.66 135.32 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 4' ' ' THR . 5.3 p -109.99 146.88 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.128 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG22 HG23 ' A' ' 52' ' ' VAL . 90.9 t -115.95 144.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 64.35 111.117 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 134.16 53.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.842 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -109.61 8.05 24.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.128 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -116.35 -22.68 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.926 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -118.68 -12.7 9.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.829 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.24 81.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.49 166.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 75.15 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.679 HG23 HG22 ' A' ' 45' ' ' VAL . 2.5 p -130.07 160.37 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -120.15 61.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -50.63 154.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 70.42 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.875 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 71.04 111.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 136.1 51.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.05 110.891 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -76.79 120.85 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 m -99.78 135.09 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.44 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.59 -152.72 6.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 50.11 112.486 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 154.34 44.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 64.24 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -108.72 -168.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.902 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.0 121.04 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -19.23 39.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.909 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -50.38 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.89 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.19 15.0 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 66.73 125.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 61.51 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.69 85.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.96 109.16 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.4 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 152.62 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.901 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -170.4 -169.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.92 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.17 145.04 47.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 65.51 110.869 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.26 -75.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 43.14 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -55.06 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.828 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.96 -39.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.74 21.21 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.672 -0.775 . . . . 64.22 112.478 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 74.43 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.47 95.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 61.13 110.858 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 m -103.89 138.23 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -106.88 138.27 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -133.66 125.72 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 73.32 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -55.12 178.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.911 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.13 84.49 2.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.654 0.74 . . . . 72.23 110.904 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.47 36.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 74.44 112.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.914 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.16 150.33 25.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.32 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.02 -27.6 8.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.94 -14.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.31 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -119.09 24.22 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -75.15 -169.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.918 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 7.8 m -58.27 110.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' LYS . 65.3 p -119.31 41.68 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.17 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.45 153.32 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.932 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.73 119.98 27.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.854 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 65.28 44.91 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.6 p30 -82.38 -169.38 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -101.13 109.15 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 16.9 p -151.49 140.95 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.859 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 p -112.54 -173.51 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.084 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.24 127.1 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -102.68 109.79 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -81.32 -0.08 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -82.07 -42.48 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.34 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' OD1' ' HB2' ' A' ' 51' ' ' ALA . 6.4 p30 -139.03 22.02 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.12 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 51.82 70.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.4 ' HB2' ' OD1' ' A' ' 49' ' ' ASN . . . -121.56 131.21 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.138 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -108.99 137.45 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 55.1 111.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.34 53.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 54.23 110.849 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.1 m -50.56 143.02 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 65.02 110.849 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.51 110.837 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.892 0.377 . . . . 51.41 111.079 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HZ2' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -152.63 155.26 36.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 54.51 110.88 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -101.55 153.22 19.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.945 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -116.55 135.26 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 71.5 111.15 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.29 -162.52 19.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 41.44 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 154.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 63.02 110.838 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -168.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 64.5 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 122.21 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 71.54 111.164 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -59.5 -18.56 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -49.11 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 72.45 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 10.52 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.856 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.14 94.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.2 m -70.19 108.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.925 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.66 148.05 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -163.59 -169.54 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -121.01 137.21 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -129.1 -41.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.881 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.99 32.48 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.31 47.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.42 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.83 5.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 42.4 112.481 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -51.8 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 72.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 100.01 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 74.53 110.85 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -121.67 141.56 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 61.14 111.172 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -98.1 144.24 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.1 tp -140.46 117.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.132 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -50.88 169.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 52' ' ' VAL . 3.6 m -111.51 78.4 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 72.25 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.2 34.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 72.12 112.387 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -52.0 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.75 98.01 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -7.54 53.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.3 11.88 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 53.5 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -153.45 22.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.881 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.41 168.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.883 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.7 m -51.38 117.11 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.815 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -126.71 37.43 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 75.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -149.95 155.11 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.889 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -89.65 120.86 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.866 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.46 41.01 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.0 p30 -78.15 -170.75 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.909 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -105.92 112.3 25.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.916 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.59 144.81 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.853 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.744 HG22 HG23 ' A' ' 4' ' ' THR . 34.8 p -121.05 139.47 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 60.41 111.128 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.23 140.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.135 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.65 112.74 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 54.42 110.85 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -94.85 26.32 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.168 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -116.63 -25.55 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.88 13.08 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.04 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m120 51.39 83.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.86 163.13 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 53.31 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 28' ' ' CYS . 3.4 p -137.07 151.35 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.14 111.176 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.86 55.75 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.51 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.8 m -63.72 134.97 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.836 0.351 . . . . 65.23 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 109.42 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 51.43 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -96.16 152.43 18.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -110.87 132.01 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.174 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.72 -160.6 10.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 62.44 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.54 153.58 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 72.43 110.877 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -100.49 -169.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.24 110.917 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.69 114.83 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.123 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -18.58 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 62.55 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -49.7 -67.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 71.24 110.88 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 23.41 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 120.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.886 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.98 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -95.57 119.77 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 156.14 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.831 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -166.48 -170.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.06 144.68 44.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 54.03 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.42 -72.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.87 62.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.119 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.53 6.53 62.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 70.43 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -58.46 100.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 72.03 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -61.67 94.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 60.03 110.833 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.0 m -116.02 118.37 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.155 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.35 126.1 29.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.891 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -132.12 121.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.181 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -56.05 177.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.936 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.22 82.36 2.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 74.21 110.862 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.28 37.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 64.22 112.395 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' CE ' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.55 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.893 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.51 88.02 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.87 -7.92 54.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 62.2 110.857 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.89 9.45 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -153.53 26.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.897 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -51.74 170.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.93 147.77 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.892 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -140.12 15.03 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 55.45 111.105 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -134.04 147.19 50.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.55 110.902 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 128.43 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.892 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 55.7 46.73 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 20.2 p30 -85.95 -168.62 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 71.22 110.878 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -98.88 108.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.56 140.67 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.861 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' THR . 25.2 p -120.12 128.24 53.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.115 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.43 132.61 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.083 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.54 92.21 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -66.35 -13.85 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 63.3 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -51.52 -37.62 50.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -153.35 26.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 71.12 110.901 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 51.77 81.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 30' ' ' LYS . . . -160.24 93.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 54.51 111.111 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -82.03 159.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.111 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.44 53.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.05 110.82 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.9 m -56.83 130.21 44.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.875 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 64.43 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 143.12 27.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 65.42 110.877 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -120.05 150.67 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 44' ' ' THR . 60.2 m -121.71 136.07 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 60.24 111.13 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.06 -164.78 17.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.737 . . . . 55.41 112.512 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.19 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 72.32 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -168.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 126.28 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.111 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.4 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.919 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -49.46 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.827 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -128.27 14.64 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 73.12 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 t30 66.04 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -179.94 93.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.22 110.48 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 60.45 110.903 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.935 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.578 ' CG ' HG21 ' A' ' 45' ' ' VAL . 10.3 p90 -164.63 -173.46 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.881 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.72 136.57 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.48 -39.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 51.12 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -95.67 30.65 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.873 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.66 48.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.103 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.62 -22.88 5.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 64.14 112.438 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 63.11 110.927 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.25 94.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -107.19 131.89 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 52.43 111.172 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -99.29 126.93 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.878 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.73 124.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -68.55 -168.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.41 110.922 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' HA ' HG12 ' A' ' 52' ' ' VAL . 11.3 t -114.36 70.29 2.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 55.14 110.897 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.11 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 45.2 112.342 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.668 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -46.54 -59.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.87 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.23 -40.32 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.871 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.39 10.21 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 62.22 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.13 -37.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -111.39 26.97 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.33 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.44 168.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.95 120.96 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p -120.75 33.37 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 70.23 111.157 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -148.67 158.39 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 63.33 110.901 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.32 121.78 33.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.88 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.07 37.82 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.8 p-10 -72.49 -170.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.74 112.38 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.22 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 p -146.28 138.86 25.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 64.53 110.919 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 4' ' ' THR . 17.9 p -117.12 129.89 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.13 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.656 HG22 HG23 ' A' ' 52' ' ' VAL . 91.9 t -84.06 143.99 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 73.51 111.157 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.27 89.01 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.3 p -63.35 -16.16 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 72.21 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -51.59 -43.43 62.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.64 22.32 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 54.55 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 51.67 83.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -165.13 109.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 72.42 111.062 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -75.58 148.06 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.124 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -102.08 56.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -51.0 147.82 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.846 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 71.54 110.886 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.883 0.373 . . . . 72.43 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -67.33 125.32 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.929 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -109.96 145.29 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.7 m -115.21 137.79 51.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.38 -157.22 9.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 64.13 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 154.46 44.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 70.54 110.931 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -109.69 -169.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 43.45 110.889 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -139.74 124.43 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 51.43 111.192 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -17.1 51.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.888 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -50.39 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 70.12 110.859 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -119.27 8.23 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 62.34 110.887 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.24 111.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.15 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -173.4 101.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 54.31 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 114.91 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 70.43 110.837 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.5 ttpp -81.5 145.97 30.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 65.45 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 45' ' ' VAL . 16.2 p90 -164.65 -177.95 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.1 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.29 146.04 48.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 72.45 110.937 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -137.19 -41.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.929 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -95.5 30.28 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.895 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.25 48.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.82 -23.33 5.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 61.01 112.466 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.83 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.307 . . . . 73.24 110.928 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.75 98.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.839 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.3 m -109.25 125.25 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 71.44 111.15 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -98.99 126.85 44.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 75.31 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 tp -134.47 124.13 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.146 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -169.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 55.41 110.883 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -110.96 79.28 1.85 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 65.25 110.902 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -17.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 63.03 112.363 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -63.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.31 -169.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.837 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.23 -39.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.929 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 13.54 17.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -125.42 1.33 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 63.13 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.5 OUTLIER -50.01 165.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.865 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 13.4 m -51.46 113.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.89 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HD2' ' A' ' 35' ' ' LYS . 10.4 p -120.13 34.4 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.44 111.103 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -147.77 155.45 41.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 54.51 110.876 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' OD2' HG22 ' A' ' 8' ' ' THR . 33.1 m-20 -88.42 121.27 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.827 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 64.36 42.41 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -79.08 -169.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -103.21 111.67 24.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.0 p -147.93 138.67 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.13 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -118.12 130.6 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.208 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 16' ' ' TYR . 93.7 t -95.89 143.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 61.14 111.144 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.69 89.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.842 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 p -64.87 -15.35 61.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.5 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.36 -45.0 65.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 61.43 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -141.79 21.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.53 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 71.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.51 128.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.118 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.77 150.4 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 60.22 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.73 64.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.6 m -51.01 158.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.01 110.843 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.848 0.356 . . . . 63.42 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 167.58 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -91.84 153.08 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 44' ' ' THR . 9.3 m -131.68 135.98 47.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 75.42 111.113 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.88 -153.37 6.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 61.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 150.43 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 73.42 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 168.79 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.18 121.65 29.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 42.01 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -16.36 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.87 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.88 -59.96 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -144.09 14.03 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.76 117.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 55.14 110.894 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.46 109.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.901 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.43 119.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 52.44 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 153.41 22.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.881 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -174.54 -169.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -118.72 147.09 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -71.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 65.45 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -74.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 74.53 110.945 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.24 60.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 61.21 111.121 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.31 6.21 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 73.42 112.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 105.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 74.23 110.915 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.77 94.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -122.53 133.66 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.05 132.94 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.896 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.5 tp -129.71 119.69 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.54 175.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.04 110.884 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.7 m -111.71 77.38 1.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 64.41 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.1 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 74.23 112.368 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -65.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.7 89.53 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -67.38 -13.28 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 52.3 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.67 -23.82 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.867 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.74 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.913 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -66.27 -174.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.926 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 34.7 m -51.91 138.35 24.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 72.44 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -145.14 14.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.142 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -141.59 177.74 7.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.903 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -113.69 129.83 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.01 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 41' ' ' ASN . 2.4 p30 -67.57 -173.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.86 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -100.55 117.41 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.43 110.933 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.44 139.55 25.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.32 110.831 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 4' ' ' THR . 57.0 p -120.16 144.55 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.163 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 52' ' ' VAL . 86.4 t -111.39 139.86 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.159 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.55 118.15 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.35 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -89.98 46.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 61.2 111.173 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -120.93 -33.01 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.99 24.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.858 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 51.49 83.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.26 108.64 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 40.35 111.086 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG22 ' A' ' 45' ' ' VAL . 3.8 p -93.17 162.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 63.4 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -115.49 56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.843 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 53.3 m -61.34 140.81 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.864 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.874 0.369 . . . . 72.41 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt 63.27 150.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -115.21 122.3 45.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.474 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -98.72 131.03 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 75.25 111.159 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.15 -160.78 10.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.42 153.46 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 75.32 110.876 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.73 -168.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.895 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.91 126.52 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.136 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -15.85 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 62.02 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 t -48.96 -62.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.842 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 11.89 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 71.04 110.867 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.65 109.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.89 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -169.68 92.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.909 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.21 124.4 22.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.885 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -85.18 142.6 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.896 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 3.9 p90 -172.56 -171.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 54.15 110.941 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 144.13 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.899 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.659 HD22 ' HE3' ' A' ' 22' ' ' LYS . 3.2 p-10 -106.99 -52.98 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.905 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 -43.13 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.855 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.53 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.13 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.36 9.34 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 71.34 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.659 ' HE3' HD22 ' A' ' 18' ' ' ASN . 6.1 mtmt -68.49 106.08 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 73.13 110.891 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.55 94.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.879 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.8 m -118.72 136.7 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -92.82 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 45' ' ' VAL . 6.7 tp -136.64 123.59 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 70.33 111.138 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.876 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.94 76.78 1.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 72.33 110.89 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -18.89 36.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 73.23 112.364 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -63.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.44 110.896 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.67 165.19 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 72.54 110.867 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.23 -27.86 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.61 18.5 8.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.909 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -138.45 10.88 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 64.1 110.862 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -53.71 166.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.89 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.8 m -51.23 107.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 p -119.29 32.11 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.138 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -144.18 156.24 44.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 65.15 110.937 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.87 120.96 30.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.835 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.95 41.14 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -78.07 -169.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.852 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -105.33 111.54 24.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 70.32 110.924 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 31.7 p -143.12 134.47 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 4' ' ' THR . 16.9 p -117.64 122.32 43.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.102 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 26' ' ' ILE . 79.2 t -88.29 144.52 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.131 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 116.59 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.867 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -92.04 40.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 52.34 111.162 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -120.49 -32.61 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.909 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -150.55 19.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.87 96.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 53.5 111.095 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.61 149.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.41 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.29 70.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -53.36 167.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 63.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.873 0.368 . . . . 71.13 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.52 137.33 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.43 110.864 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -86.37 135.8 33.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.947 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 44' ' ' THR . 4.6 m -105.23 130.5 53.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.162 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.7 -160.09 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 72.31 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 166.05 23.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 74.44 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -121.4 -169.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.902 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.06 122.62 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.178 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -22.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.929 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -65.22 86.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.83 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.27 9.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.908 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.05 135.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.55 110.883 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -178.33 93.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.2 110.856 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.74 125.96 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.52 110.884 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.56 144.35 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.916 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 2.9 p90 -158.53 -169.1 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.92 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -120.04 117.34 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -117.05 174.49 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 62.01 110.862 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.61 -73.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 50.14 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.06 27.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 72.05 111.069 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.24 5.03 8.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.706 . . . . 63.04 112.515 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.97 127.67 33.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 65.13 110.884 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.15 117.58 15.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -139.73 141.62 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.21 111.161 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -95.53 162.37 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -169.86 123.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -60.72 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HA ' HG11 ' A' ' 52' ' ' VAL . 28.3 t -107.78 88.24 4.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 65.31 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 74.51 112.335 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -57.23 -68.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.66 161.57 17.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.861 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.69 -17.71 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 64.42 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.35 18.69 9.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.897 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -141.97 20.01 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.13 110.894 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -65.63 167.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.905 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 m -50.83 111.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.14 110.933 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 35' ' ' LYS . 32.5 p -119.06 47.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 64.23 111.172 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.68 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -91.67 123.27 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.833 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.11 39.24 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.848 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -78.76 -168.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.895 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -103.95 110.31 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.1 p -150.3 139.49 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 51.43 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 4' ' ' THR . 67.1 p -110.21 176.15 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 70.01 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.9 t -149.56 126.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.12 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.887 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -98.86 21.99 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.141 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -119.7 -39.7 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.61 15.19 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.24 110.891 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t30 51.61 78.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -130.71 126.35 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.33 111.092 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 54' ' ' CYS . 8.3 p -113.42 147.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -116.21 42.27 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.925 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' VAL . 10.1 p -55.6 137.84 48.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.903 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.897 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.888 0.375 . . . . 51.44 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.66 127.23 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.891 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.24 151.7 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.962 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 44' ' ' THR . 91.3 m -128.72 143.79 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.18 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.92 24.4 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 61.05 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 151.79 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 62.14 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -168.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.879 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.79 123.83 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 75.2 111.158 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -18.88 33.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.872 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -47.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 54.33 110.874 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.93 12.29 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 44.14 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.53 115.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.39 92.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 65.03 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.48 112.95 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 54.4 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.84 150.3 25.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.889 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.79 -179.85 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.932 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 151.11 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.891 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.96 -71.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.85 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.56 -74.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.54 61.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.094 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.88 7.38 62.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 71.51 112.492 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 100.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 71.22 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -63.71 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.831 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 m -110.28 119.88 40.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 70.2 111.14 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.74 134.48 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.909 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.07 135.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.113 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.871 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.51 86.9 3.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 75.14 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.78 -17.6 37.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 63.41 112.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -62.56 -65.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.873 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.8 169.31 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.885 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.17 -24.63 7.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -8.21 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -111.3 16.57 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.911 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -178.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.953 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 m -67.57 115.71 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.04 110.906 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 t -124.19 48.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.138 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -159.99 152.3 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.912 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -86.78 120.15 27.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.896 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 63.87 42.49 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 1.6 p-10 -77.11 -171.71 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 62.04 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -107.7 109.16 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -146.26 142.96 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 30.25 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 4' ' ' THR . 12.1 p -112.97 179.95 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.19 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 16' ' ' TYR . 59.3 t -149.22 142.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.56 111.98 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 t -71.02 -17.64 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -46.8 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.897 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -150.56 32.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 61.21 110.883 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.87 79.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.87 114.88 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG11 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -105.95 138.02 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 71.31 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -105.92 57.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.8 m -50.66 144.47 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.12 110.861 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.882 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.862 0.363 . . . . 63.51 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -175.99 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -124.04 157.58 34.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.21 110.928 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.597 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -125.71 133.53 52.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 73.32 111.191 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.09 -163.12 17.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 75.12 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -136.69 158.87 43.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 74.24 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.84 -169.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.87 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -133.58 116.15 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 44.23 111.137 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -22.44 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.9 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -46.55 -75.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.12 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 10.99 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 73.13 110.89 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.73 119.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.15 110.86 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -179.84 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 109.46 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 149.81 31.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 64.22 110.908 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.603 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.77 -169.92 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.926 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.23 110.874 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.54 -41.59 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.892 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -96.37 34.55 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.904 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.82 23.22 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 54.11 111.105 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.33 -19.13 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 63.53 112.448 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 103.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 64.44 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.35 113.09 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.855 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -136.96 133.28 35.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 51.14 111.108 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -86.75 170.61 11.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.842 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -177.57 122.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.089 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -74.77 143.81 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 55.22 110.909 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -48.79 107.56 0.79 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 74.33 110.867 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' HG12 ' A' ' 52' ' ' VAL . 53.2 Cg_endo -69.83 -40.14 5.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 60.44 112.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.88 -63.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.46 102.52 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.69 -7.19 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.29 -23.9 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.888 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -112.78 23.31 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.876 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -60.69 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.838 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.16 126.74 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 35' ' ' LYS . 71.4 p -129.67 32.38 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.141 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -151.14 158.42 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.859 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 8' ' ' THR . 34.2 m-20 -95.81 127.59 41.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.856 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 64.57 30.73 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.3 p30 -70.79 -169.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.917 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.91 108.95 19.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 71.2 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -143.6 141.18 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.905 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -121.87 122.37 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 61.31 111.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.603 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 90.1 t -83.72 136.03 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.33 111.18 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.54 99.82 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -67.5 -13.69 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.172 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.72 -47.69 63.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 24.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 73.3 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 51.79 87.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 105.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 60.32 111.097 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.7 p -87.19 147.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 61.44 111.181 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -92.58 60.84 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.911 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.4 p -58.86 138.52 57.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 65.02 110.852 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 64.43 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -128.6 124.99 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 60.52 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.45 128.21 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -99.5 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 61.14 111.142 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.86 -149.75 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 43.54 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -142.91 158.79 43.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.34 110.888 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.42 -168.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.06 113.31 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.164 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -20.58 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.882 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -49.98 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.862 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.69 7.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.25 108.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 60.35 110.88 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -175.69 110.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG21 ' A' ' 52' ' ' VAL . 40.9 t -84.06 123.18 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.865 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 149.03 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.888 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' HG21 ' A' ' 45' ' ' VAL . 22.3 p90 -158.4 -168.72 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 64.53 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 130.97 56.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.879 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.68 -74.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.32 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -57.15 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.73 24.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.51 -8.24 3.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 35.22 112.478 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.59 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 62.34 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.2 97.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.12 110.844 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -107.84 116.85 32.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.142 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -85.37 141.59 29.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.875 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -145.26 125.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 53.43 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 178.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.9 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.4 t -110.75 78.11 1.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 73.25 110.873 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.02 36.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 53.5 112.352 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -51.29 -62.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 104.83 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -10.0 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.34 110.894 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -20.38 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.881 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -118.87 22.6 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.5 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -57.92 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.913 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.5 m -49.1 140.08 9.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 65.35 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 35' ' ' LYS . 49.8 p -138.64 18.19 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.155 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -152.17 158.95 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.871 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.8 126.6 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.853 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 63.58 35.2 11.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 25.4 110.884 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 17.3 p30 -75.16 -167.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -103.61 107.55 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.856 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.13 -170.32 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.01 110.921 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.28 129.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.163 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 16' ' ' TYR . 90.1 t -104.66 129.63 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 61.35 111.156 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.98 120.06 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.857 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -93.35 39.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 34.55 111.161 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -120.65 -33.4 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.25 16.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.87 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t30 51.36 87.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.867 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.98 114.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.3 111.088 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 14' ' ' CYS . 2.4 p -91.75 143.31 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.14 111.113 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.29 55.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 p -51.81 141.04 18.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 60.53 110.858 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.809 0.338 . . . . 72.33 110.891 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -81.94 141.12 33.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 72.54 110.943 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.586 ' HA ' HG22 ' A' ' 44' ' ' THR . 8.3 m -115.87 135.74 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 60.31 111.12 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.03 -159.77 10.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 55.34 112.534 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.18 153.69 47.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.321 . . . . 71.31 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.99 -168.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.23 110.893 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -140.0 125.16 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.43 111.139 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -15.86 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.861 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -48.16 -60.09 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.876 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.07 12.88 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.897 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.11 114.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -173.03 96.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.99 121.88 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 148.83 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.54 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CD2' HG21 ' A' ' 45' ' ' VAL . 2.8 p90 -170.58 -170.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.25 52.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 63.43 110.907 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.98 -51.73 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.1 -40.0 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.907 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.48 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.96 18.2 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 54.12 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.78 105.94 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 73.21 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.2 97.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.888 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -122.03 136.25 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 65.51 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.69 151.88 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tp -155.99 135.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -65.11 177.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.856 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.53 79.23 7.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 54.54 110.83 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.61 37.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 65.43 112.295 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -60.69 -65.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 70.51 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 91.9 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.92 -12.14 61.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 71.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -23.62 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.922 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -120.06 34.34 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.893 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 173.94 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 61.4 110.876 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.9 m -59.47 117.11 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.857 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 p -127.35 15.71 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.114 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -127.66 160.11 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.924 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' OD2' HG22 ' A' ' 8' ' ' THR . 73.9 m-20 -91.74 124.22 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.846 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 62.07 39.32 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.6 p30 -77.14 -170.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.899 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -105.18 110.8 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 19.5 p -143.65 140.4 30.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.904 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' THR . 70.6 p -124.6 138.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.153 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 16' ' ' TYR . 87.0 t -96.25 133.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 63.52 111.138 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.27 88.1 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 35.55 110.867 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -63.99 -15.64 59.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 60.21 111.172 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -51.75 -37.68 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.28 22.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.7 t30 51.77 88.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.61 104.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.119 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 p -79.96 160.23 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 71.21 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -112.37 53.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.31 110.854 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 m -61.47 139.4 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.875 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 53.25 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.769 0.319 . . . . 74.21 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -104.79 155.98 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.04 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.527 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -117.31 134.94 54.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.185 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.91 -167.08 22.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.479 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -142.3 150.94 41.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.911 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.615 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -138.14 126.13 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.04 111.149 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -59.93 -17.82 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.905 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -49.74 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.876 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -125.43 12.42 8.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.91 110.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.843 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -169.29 95.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.39 112.4 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.89 150.85 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.874 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 3.0 p90 -163.86 -171.12 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.57 142.79 51.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 64.22 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.51 -54.74 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -46.65 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.857 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.4 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 111.094 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.19 11.36 2.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 50.34 112.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -68.06 103.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 54.23 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.41 94.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.848 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -111.89 130.26 55.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 61.03 111.124 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.17 128.05 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.5 118.84 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 62.34 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -61.91 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.924 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.17 79.89 1.71 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 64.43 110.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -17.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.73 2.287 . . . . 72.14 112.364 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -59.3 -65.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 64.41 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.07 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.875 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.25 -25.3 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 65.12 110.858 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.04 15.25 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.896 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -133.38 6.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 63.22 110.917 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 169.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 12.3 m -51.16 118.62 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.44 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -123.11 35.38 4.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -150.44 156.43 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.911 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.615 ' OD1' HG22 ' A' ' 8' ' ' THR . 67.8 m-20 -88.85 125.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.2 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 59.47 41.55 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.55 110.858 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.0 p30 -76.24 -171.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 70.21 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 111.88 24.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 62.4 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.37 142.21 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.11 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.8 p -120.65 125.14 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.111 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 92.2 t -89.57 144.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.093 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.75 103.74 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.852 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -71.55 -14.38 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.12 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -51.72 -36.72 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.939 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.37 23.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 65.15 110.895 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.35 94.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.12 116.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.074 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -99.84 144.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 70.22 111.136 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -100.96 68.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -51.23 154.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.799 0.333 . . . . 73.31 110.893 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -120.23 177.49 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 65.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.49 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -133.91 152.77 51.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 61.13 111.15 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.26 -160.81 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 72.42 112.478 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 151.16 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 63.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.8 m -95.59 -175.88 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.41 109.84 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 73.44 111.118 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -21.29 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -44.37 -55.5 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.22 21.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.865 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.82 115.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 64.3 110.855 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.51 107.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.04 112.87 24.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 72.05 110.859 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 148.54 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.32 110.903 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 6.4 p90 -165.81 -169.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.004 0.431 . . . . 64.52 110.924 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.08 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 62.31 110.889 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.16 -52.98 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 61.44 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -42.92 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.41 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.05 14.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 74.34 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 102.68 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.75 0.31 . . . . 70.32 110.9 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -63.52 93.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.887 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -114.9 124.43 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.44 111.087 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.79 145.48 26.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -160.48 132.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.131 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -56.04 -179.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -110.21 81.0 2.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.722 . . . . 63.52 110.907 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 72.51 112.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -51.04 -62.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.871 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.33 150.16 27.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -103.36 -28.12 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -118.34 -11.43 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.11 110.858 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.41 20.27 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.901 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -174.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -54.71 142.69 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.843 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 p -152.12 19.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.133 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -144.43 166.16 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.23 119.83 38.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.893 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m120 64.47 45.18 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.1 p30 -85.65 -174.53 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.847 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -95.39 111.23 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -144.76 143.27 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.14 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 4' ' ' THR . 3.6 p -121.96 127.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 71.41 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.8 t -90.78 143.44 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 62.55 111.144 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.21 121.85 44.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -91.54 44.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 71.5 111.183 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -119.2 -31.7 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.945 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.5 29.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 43.11 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 m120 53.76 84.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.853 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' HB1' ' HG2' ' A' ' 30' ' ' LYS . . . -152.98 99.66 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 64.34 111.119 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 45' ' ' VAL . 4.7 p -88.72 148.45 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.167 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.64 52.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.85 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.68 138.0 36.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.84 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.805 0.336 . . . . 73.33 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.16 148.38 31.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.3 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' HG22 ' A' ' 44' ' ' THR . 5.3 m -126.42 129.87 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.1 111.15 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 -155.36 7.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 72.51 112.513 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 150.68 40.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 64.4 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.91 -168.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 70.54 110.88 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.479 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -138.6 124.52 19.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.138 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.34 37.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.885 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -49.72 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 61.54 110.862 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.1 10.87 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.9 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -166.99 96.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -67.96 110.45 3.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 124.41 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.23 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.68 -169.69 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 117.6 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 71.1 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -34.26 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.845 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 t0 -104.48 33.03 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.908 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.29 32.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.82 -21.04 1.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 54.24 112.475 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 113.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.326 . . . . 73.53 110.89 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.38 93.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 61.21 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -114.55 136.59 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.102 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.3 131.11 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.2 tp -136.02 118.45 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.04 111.124 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -59.18 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.901 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.83 82.0 2.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 73.44 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -18.44 37.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 75.41 112.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.98 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.9 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.5 142.59 46.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.904 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.07 2.96 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -135.38 14.42 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.902 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -137.7 9.26 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.726 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -51.2 164.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.866 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.38 117.96 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.726 HG23 ' HD2' ' A' ' 35' ' ' LYS . 6.8 p -124.75 38.44 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.081 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 156.49 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 64.04 110.896 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HG22 ' A' ' 8' ' ' THR . 63.1 m-20 -90.47 123.55 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 70.01 110.871 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 63.33 40.03 8.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.54 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -78.43 -169.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.86 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.49 109.9 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.892 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 25.9 p -144.45 126.29 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.909 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 4' ' ' THR . 2.4 p -106.13 131.08 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 61.43 111.108 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.34 144.2 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.88 119.42 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.852 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -94.94 25.19 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 63.4 111.172 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -105.07 -26.51 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.44 19.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.912 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 51.31 87.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.882 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.69 133.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 55.23 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.87 155.38 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 73.11 111.117 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.24 58.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -53.53 149.48 7.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.851 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.887 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.773 0.321 . . . . 75.31 110.904 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.93 152.07 48.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.927 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -116.95 136.16 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 61.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.82 -165.85 21.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 60.44 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 151.81 45.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 71.51 110.845 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 -168.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 53.41 110.865 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.07 124.67 22.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.135 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -18.92 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.54 110.923 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -49.03 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.832 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -124.05 9.19 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.903 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 65.24 118.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -178.69 96.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.918 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.42 109.81 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 146.31 28.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.34 110.895 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.49 -170.6 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.925 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 134.32 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.919 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.07 162.98 31.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.861 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 71.92 -69.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.03 27.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.129 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.33 6.51 9.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 71.03 112.546 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -68.77 131.58 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 73.13 110.891 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -71.09 116.64 11.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -129.68 129.06 43.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.134 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -104.44 138.39 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.2 tp -156.78 134.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.31 111.145 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -83.96 149.98 25.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -49.67 107.94 0.89 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 64.34 110.896 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -32.97 17.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 71.22 112.355 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -63.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.895 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.16 143.04 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.41 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -102.65 -21.24 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 63.14 110.882 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -10.74 9.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 21.31 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.891 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 37' ' ' THR . 7.0 pttm -67.31 -169.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.01 110.902 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 m -51.13 121.03 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.888 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 35' ' ' LYS . 42.2 p -125.12 40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.111 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.71 153.34 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.887 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -85.52 121.32 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.888 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.0 t30 60.25 46.05 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 10.5 p30 -78.48 -172.2 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.923 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.91 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 p -145.56 139.9 27.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -120.4 120.89 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.59 139.36 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.155 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.89 120.99 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 52.45 110.865 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -91.0 45.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.98 -35.74 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.949 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 26.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 64.34 110.91 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 52.04 87.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.85 107.82 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 65.23 111.132 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.2 p -95.34 142.04 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 65.11 111.139 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.88 59.11 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.884 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 p -60.92 135.94 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.91 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.886 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.827 0.346 . . . . 74.43 110.906 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -85.06 135.68 33.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.91 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.8 m -104.44 129.93 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.14 111.164 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -158.68 8.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 62.11 112.54 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 158.46 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.97 -168.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.897 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.47 126.42 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.42 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -17.08 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.63 -57.84 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.896 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -151.34 20.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 71.24 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.27 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -162.41 85.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.66 115.62 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 40.3 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 148.81 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.889 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -165.27 -173.43 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.939 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 144.21 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -74.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.52 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.88 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.846 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.8 53.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.3 -10.62 26.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.522 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -52.14 105.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 74.31 110.935 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -56.42 99.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 70.54 110.862 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -116.65 122.2 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 75.44 111.118 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.14 139.68 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -144.02 125.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.143 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.911 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' HG11 ' A' ' 52' ' ' VAL . 33.0 t -108.67 85.92 3.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 70.32 110.84 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 72.14 112.37 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -61.51 -66.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.1 110.903 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.58 114.17 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.885 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.33 -7.53 53.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -112.1 -19.7 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.834 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.24 35.15 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.833 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -72.81 170.49 14.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 50.52 110.9 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.06 115.3 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 62.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.7 p -121.85 45.57 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 54.4 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 1.7 mmmp? -160.5 157.74 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 44.05 110.914 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 121.88 33.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 63.12 110.881 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 64.02 37.6 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.902 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 11.8 p30 -75.02 -169.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -103.66 109.0 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -145.67 141.59 28.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.73 166.77 11.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 35.22 111.136 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 16' ' ' TYR . 42.2 t -136.94 125.35 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 44.12 111.137 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 123.76 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.857 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -100.1 22.7 10.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 42.3 111.183 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -122.93 -35.71 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -130.75 10.88 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 62.02 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 t30 51.57 71.75 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.57 130.7 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 71.14 111.08 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 28' ' ' CYS . 10.1 p -111.6 150.32 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 51.15 111.079 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.56 47.61 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 52.14 110.807 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.19 138.34 54.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.863 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 61.34 110.827 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.723 0.297 . . . . 74.42 110.899 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -118.07 147.23 43.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -122.81 136.88 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 72.21 111.139 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.21 -155.3 7.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 51.43 112.456 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 151.19 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 75.21 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.71 -169.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.09 124.32 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 70.13 111.125 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -17.08 53.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.902 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -52.14 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -125.01 11.45 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 71.24 110.853 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 t30 66.73 123.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.36 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.41 110.835 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.6 t -75.8 120.09 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.56 159.25 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.89 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' HG21 ' A' ' 45' ' ' VAL . 14.2 p90 -174.92 -169.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.16 136.1 54.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.91 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 163.89 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 74.33 110.883 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.86 -71.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.84 32.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.081 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.43 6.62 17.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 73.55 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 128.95 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 73.11 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -68.83 115.64 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -132.07 145.75 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 62.3 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -117.57 136.5 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.881 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 tp -140.18 127.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 62.11 110.89 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.3 74.7 1.54 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.589 0.709 . . . . 75.43 110.856 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.29 37.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.704 2.27 . . . . 55.25 112.331 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.641 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -60.07 -66.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.04 110.852 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.3 158.37 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 63.44 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.2 -23.14 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.1 110.824 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -17.73 12.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.21 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -116.23 21.98 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -71.5 -173.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.24 110.886 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m -69.96 114.6 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.869 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 p -122.22 32.12 5.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 64.14 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 156.31 43.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 74.21 110.902 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.29 120.97 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 64.79 41.63 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 62.21 110.893 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -78.05 -168.87 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.58 111.05 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.904 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.6 p -139.97 173.2 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.15 110.829 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.8 p -151.13 132.89 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.111 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 16' ' ' TYR . 90.2 t -92.25 144.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 55.35 111.13 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 112.9 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -95.01 25.75 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 41.11 111.11 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -116.85 -27.01 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 70.32 110.945 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.84 13.92 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 70.5 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 51.57 88.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -177.83 179.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.104 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -150.87 137.39 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.12 111.123 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -94.02 87.76 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.11 110.906 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 66.9 m -70.17 160.38 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.928 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.848 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.806 0.336 . . . . 54.0 110.911 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.97 152.2 28.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.935 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.472 ' HA ' HG22 ' A' ' 44' ' ' THR . 32.1 m -117.07 135.32 53.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.32 111.15 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.02 -159.66 11.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 54.42 112.507 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -136.64 165.03 26.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 71.45 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 171.11 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 55.02 110.837 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.09 124.81 52.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 53.44 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -25.64 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -49.78 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -118.77 32.43 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 62.14 110.939 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 40.18 39.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.18 103.29 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 63.43 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.82 113.84 22.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 64.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 157.34 18.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.878 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE1' HG11 ' A' ' 45' ' ' VAL . 16.3 p90 -162.84 -171.47 2.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 136.25 54.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.41 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 166.64 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 60.12 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.46 -72.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.01 110.882 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.13 25.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 70.3 111.148 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.23 7.55 7.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 74.11 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -69.55 125.95 28.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 70.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.64 117.54 8.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.884 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.4 m -129.81 134.2 47.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 54.25 111.137 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.58 139.13 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.866 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 tp -147.21 129.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -169.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.879 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.4 77.15 2.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.648 0.737 . . . . 72.5 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -17.54 37.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 54.21 112.328 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -61.66 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.67 96.89 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -13.59 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.861 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.38 -19.36 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -125.3 42.23 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.911 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -174.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.9 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -69.01 114.76 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.04 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 46.37 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.23 111.111 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.87 156.76 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.924 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -92.66 124.61 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 75.12 110.895 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.9 35.4 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -74.13 -170.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.919 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -105.54 111.74 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.838 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 p -149.54 141.12 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 4' ' ' THR . 26.1 p -115.8 130.36 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 53.22 111.163 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 16' ' ' TYR . 95.9 t -95.98 144.35 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.176 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.35 117.39 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.844 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -88.04 -25.13 23.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.152 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.52 -22.97 53.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.936 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -118.52 -13.7 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 75.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.46 80.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 62.15 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.63 -173.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 152.0 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -111.23 72.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 61.32 110.845 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 m -51.93 160.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.874 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.842 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.821 0.343 . . . . 75.53 110.87 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.13 152.33 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.641 ' HA ' HG22 ' A' ' 44' ' ' THR . 14.9 m -122.55 133.99 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 52.01 111.152 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.68 -153.33 6.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.544 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 154.1 44.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 53.41 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -111.78 -168.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.883 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 128.88 26.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.18 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -14.22 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.861 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -47.24 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.872 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -131.9 19.77 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 51.11 110.907 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 t30 65.6 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.15 95.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 53.35 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.12 119.8 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 151.67 22.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' CD2' HG21 ' A' ' 45' ' ' VAL . 17.2 p90 -168.86 -171.21 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 72.14 110.926 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -120.29 136.77 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.24 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 167.0 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.875 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.1 -72.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 73.53 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.86 24.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 55.44 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.72 6.53 7.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.507 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -69.68 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.1 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.18 115.06 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.885 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -126.74 144.45 50.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 54.23 111.155 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.46 144.3 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -155.55 123.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.12 111.129 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.927 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -111.51 78.38 1.98 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.657 0.741 . . . . 73.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 73.55 112.328 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -57.14 -66.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 70.52 110.922 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 171.36 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.898 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -3.25 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.825 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.35 0.06 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 62.32 110.909 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -122.18 7.56 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.913 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 154.23 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.97 107.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -115.9 46.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.135 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -160.58 153.29 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.911 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -86.81 119.79 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 62.05 110.841 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.46 42.61 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.859 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.6 p30 -79.06 -169.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.887 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.32 110.41 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 60.33 110.897 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 32.1 p -147.66 135.32 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 4' ' ' THR . 5.3 p -109.99 146.88 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.128 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.679 HG22 HG23 ' A' ' 52' ' ' VAL . 90.9 t -115.95 144.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 64.35 111.117 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 134.16 53.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.842 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -109.61 8.05 24.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.128 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -116.35 -22.68 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.926 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.68 -12.7 9.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.829 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.24 81.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.49 166.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 75.15 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.679 HG23 HG22 ' A' ' 45' ' ' VAL . 2.5 p -130.07 160.37 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -120.15 61.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -50.63 154.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 70.42 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.875 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.799 0.333 . . . . 62.05 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -76.79 120.85 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 m -99.78 135.09 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.44 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.59 -152.72 6.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 50.11 112.486 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 154.34 44.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 64.24 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -108.72 -168.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.902 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.0 121.04 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -19.23 39.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.909 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -50.38 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.89 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.19 15.0 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 66.73 125.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 61.51 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.69 85.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.96 109.16 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.4 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 152.62 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.901 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -170.4 -169.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.92 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.17 145.04 47.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 65.51 110.869 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.26 -75.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 43.14 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -55.06 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.828 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.96 -39.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.74 21.21 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.672 -0.775 . . . . 64.22 112.478 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 74.43 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.47 95.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 61.13 110.858 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 m -103.89 138.23 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -106.88 138.27 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -133.66 125.72 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 73.32 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -55.12 178.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.911 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.13 84.49 2.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.654 0.74 . . . . 72.23 110.904 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.47 36.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 74.44 112.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.914 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.16 150.33 25.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.32 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.02 -27.6 8.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.94 -14.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.31 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -119.09 24.22 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -75.15 -169.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.918 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 7.8 m -58.27 110.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' LYS . 65.3 p -119.31 41.68 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.17 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.45 153.32 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.932 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.73 119.98 27.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.854 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 65.28 44.91 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.6 p30 -82.38 -169.38 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -101.13 109.15 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 16.9 p -151.49 140.95 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.859 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 p -112.54 -173.51 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.084 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.24 127.1 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -102.68 109.79 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -81.32 -0.08 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -82.07 -42.48 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.34 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.552 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 1.8 p-10 -139.03 22.02 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.12 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 51.82 70.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . . . -121.56 131.21 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.138 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -108.99 137.45 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 55.1 111.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.34 53.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 54.23 110.849 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.1 m -50.56 143.02 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 65.02 110.849 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.51 110.837 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HZ2' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.766 0.317 . . . . 54.51 110.88 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -101.55 153.22 19.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.945 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -116.55 135.26 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 71.5 111.15 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.29 -162.52 19.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 41.44 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 154.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 63.02 110.838 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -168.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 64.5 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 122.21 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 71.54 111.164 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -59.5 -18.56 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -49.11 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 72.45 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 10.52 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.856 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.14 94.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.2 m -70.19 108.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.925 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.66 148.05 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -163.59 -169.54 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -121.01 137.21 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -129.1 -41.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.881 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.99 32.48 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.31 47.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.42 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.83 5.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 42.4 112.481 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -51.8 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 72.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 100.01 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 74.53 110.85 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -121.67 141.56 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 61.14 111.172 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -98.1 144.24 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.1 tp -140.46 117.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.132 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -50.88 169.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 52' ' ' VAL . 3.6 m -111.51 78.4 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 72.25 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.2 34.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 72.12 112.387 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -52.0 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.75 98.01 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -7.54 53.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.3 11.88 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 53.5 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -153.45 22.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.881 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.41 168.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.883 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.7 m -51.38 117.11 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.815 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -126.71 37.43 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 75.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -149.95 155.11 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.889 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -89.65 120.86 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.866 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.46 41.01 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.0 p30 -78.15 -170.75 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.909 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -105.92 112.3 25.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.916 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.59 144.81 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.853 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.744 HG22 HG23 ' A' ' 4' ' ' THR . 34.8 p -121.05 139.47 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 60.41 111.128 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.23 140.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.135 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.65 112.74 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 54.42 110.85 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -94.85 26.32 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.168 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -116.63 -25.55 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.88 13.08 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.04 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m120 51.39 83.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.86 163.13 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 53.31 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 28' ' ' CYS . 3.4 p -137.07 151.35 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.14 111.176 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.86 55.75 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.51 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.8 m -63.72 134.97 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.782 0.325 . . . . 51.43 110.85 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -96.16 152.43 18.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -110.87 132.01 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.174 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.72 -160.6 10.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 62.44 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.54 153.58 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 72.43 110.877 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -100.49 -169.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.24 110.917 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.69 114.83 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.123 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -18.58 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 62.55 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -49.7 -67.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 71.24 110.88 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 23.41 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 120.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.886 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.98 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -95.57 119.77 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 156.14 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.831 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -166.48 -170.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.06 144.68 44.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 54.03 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.42 -72.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.87 62.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.119 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.53 6.53 62.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 70.43 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -58.46 100.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 72.03 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -61.67 94.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 60.03 110.833 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.0 m -116.02 118.37 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.155 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.35 126.1 29.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.891 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -132.12 121.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.181 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -56.05 177.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.936 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.22 82.36 2.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 74.21 110.862 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.28 37.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 64.22 112.395 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.502 ' CE ' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.55 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.893 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.51 88.02 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.87 -7.92 54.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 62.2 110.857 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.89 9.45 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -153.53 26.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.897 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -51.74 170.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.93 147.77 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.892 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -140.12 15.03 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 55.45 111.105 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -134.04 147.19 50.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.55 110.902 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 128.43 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.892 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 55.7 46.73 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 20.2 p30 -85.95 -168.62 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 71.22 110.878 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -98.88 108.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.56 140.67 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.861 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' THR . 25.2 p -120.12 128.24 53.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.115 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.43 132.61 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.083 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.54 92.21 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -66.35 -13.85 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 63.3 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -51.52 -37.62 50.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -153.35 26.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 71.12 110.901 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 51.77 81.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 30' ' ' LYS . . . -160.24 93.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 54.51 111.111 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -82.03 159.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.111 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.44 53.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.05 110.82 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.9 m -56.83 130.21 44.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.875 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.328 . . . . 65.42 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -120.05 150.67 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 44' ' ' THR . 60.2 m -121.71 136.07 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 60.24 111.13 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.06 -164.78 17.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.737 . . . . 55.41 112.512 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.19 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 72.32 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -168.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 126.28 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.111 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.4 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.919 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -49.46 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.827 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -128.27 14.64 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 73.12 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 t30 66.04 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -179.94 93.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.22 110.48 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 60.45 110.903 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.935 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.578 ' CG ' HG21 ' A' ' 45' ' ' VAL . 10.3 p90 -164.63 -173.46 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.881 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.72 136.57 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.48 -39.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 51.12 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -95.67 30.65 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.873 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.66 48.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.103 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.62 -22.88 5.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 64.14 112.438 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 63.11 110.927 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.25 94.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -107.19 131.89 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 52.43 111.172 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -99.29 126.93 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.878 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.73 124.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -68.55 -168.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.41 110.922 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.434 ' HA ' HG12 ' A' ' 52' ' ' VAL . 11.3 t -114.36 70.29 2.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 55.14 110.897 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.11 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 45.2 112.342 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.668 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -46.54 -59.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.87 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.23 -40.32 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.871 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.39 10.21 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 62.22 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.13 -37.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -111.39 26.97 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.33 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.44 168.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.95 120.96 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p -120.75 33.37 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 70.23 111.157 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -148.67 158.39 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 63.33 110.901 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.32 121.78 33.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.88 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.07 37.82 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 11.5 p30 -72.49 -170.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.74 112.38 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.22 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 p -146.28 138.86 25.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 64.53 110.919 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 4' ' ' THR . 17.9 p -117.12 129.89 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.13 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.656 HG22 HG23 ' A' ' 52' ' ' VAL . 91.9 t -84.06 143.99 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 73.51 111.157 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.27 89.01 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.3 p -63.35 -16.16 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 72.21 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -51.59 -43.43 62.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.64 22.32 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 54.55 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 51.67 83.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -165.13 109.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 72.42 111.062 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -75.58 148.06 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.124 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -102.08 56.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -51.0 147.82 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.846 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 71.54 110.886 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.816 0.341 . . . . 75.31 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -109.96 145.29 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.7 m -115.21 137.79 51.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.38 -157.22 9.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 64.13 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 154.46 44.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 70.54 110.931 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -109.69 -169.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 43.45 110.889 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -139.74 124.43 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 51.43 111.192 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -17.1 51.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.888 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -50.39 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 70.12 110.859 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -119.27 8.23 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 62.34 110.887 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.24 111.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.15 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -173.4 101.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 54.31 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 114.91 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 70.43 110.837 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.5 ttpp -81.5 145.97 30.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 65.45 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 45' ' ' VAL . 16.2 p90 -164.65 -177.95 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.1 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.29 146.04 48.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 72.45 110.937 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.19 -41.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.929 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -95.5 30.28 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.895 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.25 48.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.82 -23.33 5.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 61.01 112.466 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.83 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.307 . . . . 73.24 110.928 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.75 98.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.839 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.3 m -109.25 125.25 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 71.44 111.15 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -98.99 126.85 44.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 75.31 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 tp -134.47 124.13 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.146 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -169.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 55.41 110.883 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -110.96 79.28 1.85 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 65.25 110.902 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -17.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 63.03 112.363 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -63.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.31 -169.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.837 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.23 -39.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.929 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 13.54 17.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -125.42 1.33 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 63.13 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.5 OUTLIER -50.01 165.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.865 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 13.4 m -51.46 113.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.89 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HD2' ' A' ' 35' ' ' LYS . 10.4 p -120.13 34.4 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.44 111.103 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -147.77 155.45 41.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 54.51 110.876 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.442 ' OD2' HG22 ' A' ' 8' ' ' THR . 33.1 m-20 -88.42 121.27 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.827 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 64.36 42.41 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.1 p30 -79.08 -169.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -103.21 111.67 24.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.0 p -147.93 138.67 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.13 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -118.12 130.6 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.208 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 16' ' ' TYR . 93.7 t -95.89 143.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 61.14 111.144 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.69 89.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.842 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 p -64.87 -15.35 61.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.5 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.36 -45.0 65.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 61.43 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.79 21.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.53 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 71.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.51 128.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.118 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.77 150.4 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 60.22 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.73 64.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.6 m -51.01 158.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.01 110.843 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 74.42 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -91.84 153.08 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 44' ' ' THR . 9.3 m -131.68 135.98 47.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 75.42 111.113 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.88 -153.37 6.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 61.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 150.43 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 73.42 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 168.79 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.18 121.65 29.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 42.01 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -16.36 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.87 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.88 -59.96 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -144.09 14.03 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.76 117.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 55.14 110.894 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.46 109.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.901 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.43 119.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 52.44 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 153.41 22.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.881 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -174.54 -169.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -118.72 147.09 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -71.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 65.45 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -74.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 74.53 110.945 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.24 60.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 61.21 111.121 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.31 6.21 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 73.42 112.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 105.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 74.23 110.915 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.77 94.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -122.53 133.66 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.05 132.94 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.896 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.5 tp -129.71 119.69 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.54 175.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.04 110.884 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.7 m -111.71 77.38 1.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 64.41 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.1 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 74.23 112.368 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -65.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.7 89.53 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -67.38 -13.28 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 52.3 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.67 -23.82 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.867 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.74 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.913 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -66.27 -174.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.926 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 34.7 m -51.91 138.35 24.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 72.44 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -145.14 14.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.142 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -141.59 177.74 7.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.903 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -113.69 129.83 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.01 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 41' ' ' ASN . 2.4 p30 -67.57 -173.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.86 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -100.55 117.41 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.43 110.933 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.44 139.55 25.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.32 110.831 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 4' ' ' THR . 57.0 p -120.16 144.55 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.163 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 52' ' ' VAL . 86.4 t -111.39 139.86 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.159 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.55 118.15 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.35 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -89.98 46.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 61.2 111.173 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -120.93 -33.01 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.99 24.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.858 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 51.49 83.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.26 108.64 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 40.35 111.086 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG22 ' A' ' 45' ' ' VAL . 3.8 p -93.17 162.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 63.4 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -115.49 56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.843 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 53.3 m -61.34 140.81 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.864 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.823 0.344 . . . . 74.45 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -115.21 122.3 45.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.474 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -98.72 131.03 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 75.25 111.159 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.15 -160.78 10.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.42 153.46 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 75.32 110.876 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.73 -168.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.895 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.91 126.52 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.136 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -15.85 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 62.02 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 t -48.96 -62.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.842 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 11.89 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 71.04 110.867 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.65 109.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.89 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -169.68 92.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.909 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.21 124.4 22.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.885 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -85.18 142.6 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.896 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 3.9 p90 -172.56 -171.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 54.15 110.941 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 144.13 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.899 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -106.99 -52.98 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.905 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 -43.13 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.855 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.53 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.13 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.36 9.34 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 71.34 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -68.49 106.08 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 73.13 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.55 94.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.879 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.8 m -118.72 136.7 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -92.82 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 45' ' ' VAL . 6.7 tp -136.64 123.59 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 70.33 111.138 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.876 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.94 76.78 1.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 72.33 110.89 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -18.89 36.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 73.23 112.364 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -63.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.44 110.896 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.67 165.19 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 72.54 110.867 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.23 -27.86 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.61 18.5 8.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.909 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -138.45 10.88 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 64.1 110.862 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -53.71 166.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.89 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.8 m -51.23 107.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 p -119.29 32.11 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.138 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -144.18 156.24 44.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 65.15 110.937 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.87 120.96 30.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.835 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.95 41.14 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.2 p30 -78.07 -169.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.852 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -105.33 111.54 24.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 70.32 110.924 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 31.7 p -143.12 134.47 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 4' ' ' THR . 16.9 p -117.64 122.32 43.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.102 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 26' ' ' ILE . 79.2 t -88.29 144.52 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.131 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 116.59 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.867 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -92.04 40.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 52.34 111.162 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -120.49 -32.61 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.909 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.55 19.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.875 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.87 96.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 53.5 111.095 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.61 149.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.41 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.29 70.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -53.36 167.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 63.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.797 0.332 . . . . 71.43 110.864 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -86.37 135.8 33.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.947 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 44' ' ' THR . 4.6 m -105.23 130.5 53.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.162 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.7 -160.09 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 72.31 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 166.05 23.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 74.44 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -121.4 -169.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.902 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.06 122.62 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.178 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -22.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.929 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -65.22 86.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.83 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.27 9.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.908 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.05 135.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.55 110.883 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -178.33 93.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.2 110.856 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.74 125.96 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.52 110.884 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.56 144.35 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.916 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 2.9 p90 -158.53 -169.1 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.92 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -120.04 117.34 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 174.49 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 62.01 110.862 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.61 -73.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 50.14 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.06 27.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 72.05 111.069 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.24 5.03 8.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.706 . . . . 63.04 112.515 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.97 127.67 33.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 65.13 110.884 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.15 117.58 15.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -139.73 141.62 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.21 111.161 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -95.53 162.37 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -169.86 123.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -60.72 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HA ' HG11 ' A' ' 52' ' ' VAL . 28.3 t -107.78 88.24 4.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 65.31 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 74.51 112.335 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -57.23 -68.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.66 161.57 17.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.861 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.69 -17.71 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 64.42 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.35 18.69 9.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.897 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -141.97 20.01 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.13 110.894 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -65.63 167.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.905 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 m -50.83 111.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.14 110.933 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 35' ' ' LYS . 32.5 p -119.06 47.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 64.23 111.172 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.68 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -91.67 123.27 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.833 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.11 39.24 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.848 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -78.76 -168.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.895 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -103.95 110.31 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.1 p -150.3 139.49 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 51.43 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 4' ' ' THR . 67.1 p -110.21 176.15 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 70.01 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.9 t -149.56 126.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.12 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.887 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -98.86 21.99 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.141 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -119.7 -39.7 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.61 15.19 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.24 110.891 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t30 51.61 78.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -130.71 126.35 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.33 111.092 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 54' ' ' CYS . 8.3 p -113.42 147.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -116.21 42.27 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.925 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' VAL . 10.1 p -55.6 137.84 48.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.903 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.897 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.792 0.329 . . . . 72.44 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.24 151.7 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.962 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 44' ' ' THR . 91.3 m -128.72 143.79 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.18 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.92 24.4 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 61.05 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 151.79 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 62.14 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -168.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.879 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.79 123.83 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 75.2 111.158 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -18.88 33.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.872 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -47.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 54.33 110.874 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.93 12.29 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 44.14 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.53 115.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.39 92.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 65.03 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.48 112.95 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 54.4 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.84 150.3 25.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.889 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.79 -179.85 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.932 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 151.11 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.891 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.96 -71.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.85 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.56 -74.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.54 61.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.094 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.88 7.38 62.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 71.51 112.492 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 100.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 71.22 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -63.71 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.831 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 m -110.28 119.88 40.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 70.2 111.14 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.74 134.48 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.909 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.07 135.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.113 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.871 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.51 86.9 3.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 75.14 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.78 -17.6 37.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 63.41 112.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -62.56 -65.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.873 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.8 169.31 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.885 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.17 -24.63 7.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -8.21 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -111.3 16.57 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.911 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -178.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.953 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 m -67.57 115.71 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.04 110.906 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 t -124.19 48.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.138 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -159.99 152.3 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.912 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -86.78 120.15 27.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.896 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 63.87 42.49 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.5 p30 -77.11 -171.71 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 62.04 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -107.7 109.16 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -146.26 142.96 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 30.25 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 4' ' ' THR . 12.1 p -112.97 179.95 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.19 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 16' ' ' TYR . 59.3 t -149.22 142.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.56 111.98 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 t -71.02 -17.64 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -46.8 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.897 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.56 32.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 61.21 110.883 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.87 79.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.87 114.88 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG11 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -105.95 138.02 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 71.31 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -105.92 57.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.8 m -50.66 144.47 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.12 110.861 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.882 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.789 0.328 . . . . 73.23 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -124.04 157.58 34.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.21 110.928 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.597 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -125.71 133.53 52.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 73.32 111.191 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.09 -163.12 17.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 75.12 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -136.69 158.87 43.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 74.24 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.84 -169.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.87 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -133.58 116.15 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 44.23 111.137 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -22.44 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.9 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -46.55 -75.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.12 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 10.99 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 73.13 110.89 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.73 119.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.15 110.86 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -179.84 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 109.46 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 149.81 31.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 64.22 110.908 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.603 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.77 -169.92 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.926 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.23 110.874 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -118.54 -41.59 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.892 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -96.37 34.55 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.904 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.82 23.22 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 54.11 111.105 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.33 -19.13 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 63.53 112.448 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 103.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 64.44 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.35 113.09 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.855 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -136.96 133.28 35.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 51.14 111.108 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -86.75 170.61 11.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.842 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -177.57 122.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.089 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -74.77 143.81 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 55.22 110.909 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -48.79 107.56 0.79 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 74.33 110.867 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' HG12 ' A' ' 52' ' ' VAL . 53.2 Cg_endo -69.83 -40.14 5.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 60.44 112.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.88 -63.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.46 102.52 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.69 -7.19 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.29 -23.9 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.888 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -112.78 23.31 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.876 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -60.69 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.838 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.16 126.74 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 35' ' ' LYS . 71.4 p -129.67 32.38 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.141 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -151.14 158.42 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.859 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 8' ' ' THR . 34.2 m-20 -95.81 127.59 41.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.856 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 64.57 30.73 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.3 p30 -70.79 -169.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.917 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.91 108.95 19.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 71.2 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -143.6 141.18 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.905 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -121.87 122.37 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 61.31 111.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.603 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 90.1 t -83.72 136.03 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.33 111.18 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.54 99.82 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -67.5 -13.69 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.172 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.72 -47.69 63.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 24.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 73.3 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 51.79 87.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 105.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 60.32 111.097 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.7 p -87.19 147.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 61.44 111.181 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -92.58 60.84 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.911 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.4 p -58.86 138.52 57.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 65.02 110.852 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 60.52 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.45 128.21 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -99.5 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 61.14 111.142 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.86 -149.75 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 43.54 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -142.91 158.79 43.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.34 110.888 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.42 -168.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.06 113.31 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.164 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -20.58 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.882 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -49.98 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.862 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.69 7.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.25 108.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 60.35 110.88 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -175.69 110.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG21 ' A' ' 52' ' ' VAL . 40.9 t -84.06 123.18 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.865 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 149.03 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.888 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' HG21 ' A' ' 45' ' ' VAL . 22.3 p90 -158.4 -168.72 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 64.53 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 130.97 56.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.879 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.68 -74.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.32 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -57.15 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.73 24.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.51 -8.24 3.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 35.22 112.478 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.59 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 62.34 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.2 97.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.12 110.844 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -107.84 116.85 32.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.142 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -85.37 141.59 29.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.875 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -145.26 125.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 53.43 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 178.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.9 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.4 t -110.75 78.11 1.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 73.25 110.873 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.02 36.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 53.5 112.352 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -51.29 -62.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 104.83 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -10.0 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.34 110.894 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -20.38 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.881 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -118.87 22.6 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.5 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -57.92 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.913 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.5 m -49.1 140.08 9.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 65.35 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 35' ' ' LYS . 49.8 p -138.64 18.19 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.155 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -152.17 158.95 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.871 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.8 126.6 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.853 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 63.58 35.2 11.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 25.4 110.884 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 17.3 p30 -75.16 -167.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -103.61 107.55 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.856 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.13 -170.32 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.01 110.921 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.28 129.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.163 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 16' ' ' TYR . 90.1 t -104.66 129.63 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 61.35 111.156 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.98 120.06 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.857 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -93.35 39.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 34.55 111.161 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -120.65 -33.4 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.25 16.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.87 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t30 51.36 87.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.867 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.98 114.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.3 111.088 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 14' ' ' CYS . 2.4 p -91.75 143.31 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.14 111.113 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.29 55.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 p -51.81 141.04 18.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 60.53 110.858 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.825 0.345 . . . . 71.14 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.33 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -81.94 141.12 33.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.451 . . . . 72.54 110.943 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.586 ' HA ' HG22 ' A' ' 44' ' ' THR . 8.3 m -115.87 135.74 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 60.31 111.12 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.03 -159.77 10.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 55.34 112.534 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.18 153.69 47.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.773 0.321 . . . . 71.31 110.947 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.99 -168.91 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 74.23 110.893 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -140.0 125.16 18.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 72.43 111.139 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -15.86 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 64.25 110.861 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -48.16 -60.09 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.876 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -141.07 12.88 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.897 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.11 114.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 74.42 110.927 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -173.03 96.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 72.34 110.876 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.4 t -72.99 121.88 20.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 71.23 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.04 148.83 23.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.54 110.886 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CD2' HG21 ' A' ' 45' ' ' VAL . 2.8 p90 -170.58 -170.33 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.25 52.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 63.43 110.907 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -101.98 -51.73 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 73.13 110.922 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.1 -40.0 18.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 64.44 110.907 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.48 -59.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 74.3 111.089 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.96 18.2 4.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.722 -0.752 . . . . 54.12 112.459 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.78 105.94 5.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.764 0.316 . . . . 73.21 110.852 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.2 97.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.888 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.4 m -122.03 136.25 54.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 65.51 111.182 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -98.69 151.88 20.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.874 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tp -155.99 135.51 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.14 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -65.11 177.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.856 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.6 m -115.53 79.23 7.09 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.67 0.748 . . . . 54.54 110.83 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -17.61 37.16 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 65.43 112.295 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -60.69 -65.14 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 70.51 110.9 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 91.9 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 74.41 110.873 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -68.92 -12.14 61.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 71.2 110.881 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.75 -23.62 10.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 70.13 110.922 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -120.06 34.34 5.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.893 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 173.94 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 61.4 110.876 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.9 m -59.47 117.11 4.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.857 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 p -127.35 15.71 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 75.11 111.114 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -127.66 160.11 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 63.33 110.924 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' OD2' HG22 ' A' ' 8' ' ' THR . 73.9 m-20 -91.74 124.22 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 73.33 110.846 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 62.07 39.32 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.1 110.905 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.418 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.6 p30 -77.14 -170.07 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 73.51 110.899 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -105.18 110.8 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.22 110.922 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.829 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 19.5 p -143.65 140.4 30.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.904 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.586 HG22 ' HA ' ' A' ' 4' ' ' THR . 70.6 p -124.6 138.87 54.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.32 111.153 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CD2' ' A' ' 16' ' ' TYR . 87.0 t -96.25 133.08 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 63.52 111.138 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.27 88.1 2.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 35.55 110.867 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.8 p -63.99 -15.64 59.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 60.21 111.172 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -51.75 -37.68 52.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.888 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -149.28 22.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.835 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.7 t30 51.77 88.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.882 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -169.61 104.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.119 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.2 p -79.96 160.23 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 71.21 111.101 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -112.37 53.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 60.31 110.854 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 m -61.47 139.4 58.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.53 110.875 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 53.25 110.858 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.82 0.343 . . . . 71.33 111.132 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 121.51 41.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.21 110.928 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -104.79 155.98 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 63.04 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.527 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -117.31 134.94 54.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.185 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.91 -167.08 22.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 75.14 112.479 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -142.3 150.94 41.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.13 110.891 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 -169.2 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.911 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.615 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.1 OUTLIER -138.14 126.13 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 72.04 111.149 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -59.93 -17.82 40.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 75.2 110.905 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -49.74 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.876 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -125.43 12.42 8.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 74.53 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.91 110.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 65.33 110.843 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -169.29 95.69 0.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 72.04 110.879 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.39 112.4 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.02 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.89 150.85 24.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 64.11 110.874 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 3.0 p90 -163.86 -171.12 2.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 52.32 110.929 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.57 142.79 51.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 64.22 110.882 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -106.51 -54.74 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.24 -46.65 22.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.02 110.857 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -179.4 -42.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 72.1 111.094 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -143.19 11.36 2.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 50.34 112.466 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -68.06 103.5 1.54 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 54.23 110.917 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -61.41 94.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.848 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.3 m -111.89 130.26 55.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 61.03 111.124 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -96.17 128.05 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.886 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 tp -137.5 118.84 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 62.34 111.135 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -61.91 -165.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.924 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -110.17 79.89 1.71 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 64.43 110.847 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -17.45 37.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.73 2.287 . . . . 72.14 112.364 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -59.3 -65.64 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 64.41 110.852 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.07 165.82 10.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 73.33 110.875 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.25 -25.3 8.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 65.12 110.858 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.04 15.25 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 54.41 110.896 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -133.38 6.22 3.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 63.22 110.917 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.04 169.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 74.33 110.948 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 12.3 m -51.16 118.62 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 43.44 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.2 p -123.11 35.38 4.89 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 75.52 111.139 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -150.44 156.43 41.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 63.33 110.911 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.615 ' OD1' HG22 ' A' ' 8' ' ' THR . 67.8 m-20 -88.85 125.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.2 110.866 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.9 m120 59.47 41.55 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.55 110.858 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.409 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.0 p30 -76.24 -171.35 1.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 70.21 110.896 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.34 111.88 24.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 62.4 110.887 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.7 p -146.37 142.21 27.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 63.11 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.8 p -120.65 125.14 46.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 74.34 111.111 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 92.2 t -89.57 144.01 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.53 111.093 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.75 103.74 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 63.21 110.852 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -71.55 -14.38 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 74.5 111.12 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -51.72 -36.72 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 71.45 110.939 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -156.37 23.51 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 65.15 110.895 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 57.35 94.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.879 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -170.12 116.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 71.13 111.074 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -99.84 144.42 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 70.22 111.136 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -100.96 68.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 64.23 110.864 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 94.7 m -51.23 154.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.32 110.885 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 63.33 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.874 0.369 . . . . 64.44 111.111 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.85 158.87 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 73.31 110.893 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -120.23 177.49 5.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 65.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.49 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.6 OUTLIER -133.91 152.77 51.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 61.13 111.15 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.26 -160.81 25.68 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 72.42 112.478 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 151.16 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 63.44 110.877 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.8 m -95.59 -175.88 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 63.41 110.89 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.41 109.84 5.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 73.44 111.118 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.31 -21.29 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.899 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 t -44.37 -55.5 4.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 72.13 110.86 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.22 21.54 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 65.42 110.865 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.82 115.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 64.3 110.855 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -179.51 107.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.908 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -96.04 112.87 24.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 72.05 110.859 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.55 148.54 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 71.32 110.903 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 6.4 p90 -165.81 -169.64 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.004 0.431 . . . . 64.52 110.924 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.08 51.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 62.31 110.889 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.16 -52.98 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 61.44 110.879 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.5 -42.92 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 65.44 110.872 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.41 -43.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.15 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -147.05 14.47 1.5 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.711 -0.757 . . . . 74.34 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 102.68 4.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.75 0.31 . . . . 70.32 110.9 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -63.52 93.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 62.13 110.887 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -114.9 124.43 51.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 75.44 111.087 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -87.79 145.48 26.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 73.5 110.86 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -160.48 132.65 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.131 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -56.04 -179.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.922 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 m -110.21 81.0 2.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.722 . . . . 63.52 110.907 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.678 2.252 . . . . 72.51 112.318 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -51.04 -62.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 64.35 110.871 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.33 150.16 27.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.15 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -103.36 -28.12 12.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.899 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -118.34 -11.43 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.11 110.858 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -116.41 20.27 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 73.44 110.901 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.14 -174.19 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.914 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.7 m -54.71 142.69 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 64.45 110.843 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 p -152.12 19.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.133 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -144.43 166.16 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 71.25 110.896 179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.23 119.83 38.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.436 . . . . 71.32 110.893 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.3 m120 64.47 45.18 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 70.02 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.1 p30 -85.65 -174.53 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 64.23 110.847 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -95.39 111.23 23.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.912 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.4 p -144.76 143.27 30.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.14 110.888 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' HA ' ' A' ' 4' ' ' THR . 3.6 p -121.96 127.86 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 71.41 111.164 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.691 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.8 t -90.78 143.44 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 62.55 111.144 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.21 121.85 44.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.87 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.8 t -91.54 44.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 71.5 111.183 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -119.2 -31.7 4.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.945 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.5 29.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 43.11 110.887 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.1 m120 53.76 84.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 73.21 110.853 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' HB1' ' HG2' ' A' ' 30' ' ' LYS . . . -152.98 99.66 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 64.34 111.119 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 45' ' ' VAL . 4.7 p -88.72 148.45 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 71.23 111.167 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -97.64 52.52 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.85 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.7 m -53.68 138.0 36.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 73.05 110.84 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.363 . . . . 73.13 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.67 147.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 73.33 110.897 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -109.16 148.38 31.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 71.3 110.91 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.638 ' HA ' HG22 ' A' ' 44' ' ' THR . 5.3 m -126.42 129.87 49.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 65.1 111.15 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.77 -155.36 7.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 72.51 112.513 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.43 150.68 40.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 64.4 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.91 -168.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 70.54 110.88 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.479 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -138.6 124.52 19.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.138 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.35 -18.34 37.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 71.53 110.885 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -49.72 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 61.54 110.862 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.1 10.87 10.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 54.21 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 61.9 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -166.99 96.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.489 . . . . 74.54 110.878 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 9.2 t -67.96 110.45 3.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.854 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.32 124.41 29.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 71.23 110.891 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -145.68 -169.69 3.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 74.52 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.06 117.6 32.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 71.1 110.908 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -34.26 8.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 73.25 110.845 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.515 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.1 t0 -104.48 33.03 3.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.908 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.29 32.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.13 111.092 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 144.82 -21.04 1.98 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.738 -0.744 . . . . 54.24 112.475 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.96 113.47 1.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.784 0.326 . . . . 73.53 110.89 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -63.38 93.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 61.21 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.9 m -114.55 136.59 52.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.35 111.102 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.3 131.11 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 72.23 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.2 tp -136.02 118.45 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 75.04 111.124 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -59.18 -173.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 74.51 110.901 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.5 t -109.83 82.0 2.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.601 0.715 . . . . 73.44 110.916 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -18.44 37.02 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.678 2.252 . . . . 75.41 112.351 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.98 -63.46 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.51 110.9 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -116.5 142.59 46.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.904 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.07 2.96 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.868 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -135.38 14.42 3.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.902 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -137.7 9.26 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.851 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.726 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -51.2 164.45 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 74.31 110.866 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -59.38 117.96 5.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 72.11 110.854 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.726 HG23 ' HD2' ' A' ' 35' ' ' LYS . 6.8 p -124.75 38.44 4.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 74.21 111.081 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 156.49 39.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 64.04 110.896 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HG22 ' A' ' 8' ' ' THR . 63.1 m-20 -90.47 123.55 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 70.01 110.871 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 63.33 40.03 8.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 60.54 110.852 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -78.43 -169.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 64.53 110.86 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.49 109.9 21.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.892 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.095 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 25.9 p -144.45 126.29 15.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 50.53 110.909 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 4' ' ' THR . 2.4 p -106.13 131.08 53.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 61.43 111.108 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.9 t -97.34 144.2 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 73.34 111.178 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.88 119.42 32.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.852 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -94.94 25.19 4.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 63.4 111.172 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -105.07 -26.51 12.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.22 110.906 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.44 19.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 72.42 110.912 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 51.31 87.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.882 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -171.69 133.56 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 55.23 111.108 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.87 155.38 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 73.11 111.117 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.24 58.74 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.53 110.863 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.7 p -53.53 149.48 7.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.851 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.0 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 54.32 110.887 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.835 0.35 . . . . 72.11 111.107 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.43 -176.94 5.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 75.31 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -127.93 152.07 48.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.927 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.6 m -116.95 136.16 53.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 61.0 111.125 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -163.82 -165.85 21.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 60.44 112.464 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 151.81 45.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 71.51 110.845 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.24 -168.43 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 53.41 110.865 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.07 124.67 22.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.135 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -18.92 37.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.54 110.923 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -49.03 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 73.42 110.832 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -124.05 9.19 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.903 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 65.24 118.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.9 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -178.69 96.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.43 110.918 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.42 109.81 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 63.45 110.866 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.06 146.31 28.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.34 110.895 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -153.49 -170.6 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.925 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 134.32 55.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.919 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.07 162.98 31.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 71.21 110.861 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t0 71.92 -69.12 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 71.43 110.866 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.03 27.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 71.13 111.129 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.33 6.51 9.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 71.03 112.546 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -68.77 131.58 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 73.13 110.891 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -71.09 116.64 11.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.877 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -129.68 129.06 43.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.134 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -104.44 138.39 40.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.2 tp -156.78 134.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.31 111.145 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -83.96 149.98 25.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -49.67 107.94 0.89 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.622 0.725 . . . . 64.34 110.896 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -32.97 17.38 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.238 . . . . 71.22 112.355 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -63.84 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 74.24 110.895 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.16 143.04 34.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 70.41 110.887 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -102.65 -21.24 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 63.14 110.882 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.72 -10.74 9.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.31 21.31 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.891 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' O ' HG23 ' A' ' 37' ' ' THR . 7.0 pttm -67.31 -169.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 74.01 110.902 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 m -51.13 121.03 5.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 75.1 110.888 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 35' ' ' LYS . 42.2 p -125.12 40.52 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 111.111 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.71 153.34 29.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 72.21 110.887 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -85.52 121.32 28.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.888 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 56.0 t30 60.25 46.05 10.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.31 110.904 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 10.5 p30 -78.48 -172.2 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 64.43 110.923 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.77 109.71 21.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.24 110.91 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 p -145.56 139.9 27.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.867 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.0 p -120.4 120.89 37.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.153 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.5 t -82.59 139.36 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 74.51 111.155 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.89 120.99 43.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 52.45 110.865 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.2 t -91.0 45.83 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 73.44 111.146 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -122.98 -35.74 2.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.949 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.81 26.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 64.34 110.91 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.5 t30 52.04 87.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.41 110.888 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -161.85 107.82 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 65.23 111.132 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.543 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.2 p -95.34 142.04 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 65.11 111.139 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.88 59.11 4.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 73.24 110.884 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 14.7 p -60.92 135.94 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 72.23 110.91 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.886 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.795 0.331 . . . . 45.15 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.37 105.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.906 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -85.06 135.68 33.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.91 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.8 m -104.44 129.93 52.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 63.14 111.164 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.28 -158.68 8.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.721 . . . . 62.11 112.54 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.34 158.46 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.34 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.97 -168.06 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 70.31 110.897 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.47 126.42 25.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 63.42 111.097 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.31 -17.08 40.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.901 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.63 -57.84 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.896 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -151.34 20.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 71.24 110.933 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.27 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.871 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -162.41 85.16 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 72.2 110.918 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.66 115.62 6.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 40.3 110.883 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.21 148.81 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.889 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.521 ' CD2' HG21 ' A' ' 45' ' ' VAL . 12.9 p90 -165.27 -173.43 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.939 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.53 144.21 50.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 72.34 110.917 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -120.18 -74.72 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.52 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.88 -74.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.846 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.8 53.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 62.25 111.111 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.3 -10.62 26.51 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.768 -0.729 . . . . 72.45 112.522 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -52.14 105.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 74.31 110.935 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -56.42 99.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 70.54 110.862 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.8 m -116.65 122.2 43.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 75.44 111.118 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -98.14 139.68 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.44 110.875 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 tp -144.02 125.0 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.143 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.911 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.578 ' HA ' HG11 ' A' ' 52' ' ' VAL . 33.0 t -108.67 85.92 3.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 70.32 110.84 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.9 Cg_endo -69.77 -17.08 37.71 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.672 2.248 . . . . 72.14 112.37 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -61.51 -66.3 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.1 110.903 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.58 114.17 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.885 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -74.33 -7.53 53.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -112.1 -19.7 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.3 110.834 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.24 35.15 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 73.52 110.833 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -72.81 170.49 14.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 50.52 110.9 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.06 115.3 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 62.34 110.836 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.7 p -121.85 45.57 2.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 54.4 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.415 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 1.7 mmmp? -160.5 157.74 28.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 44.05 110.914 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -91.87 121.88 33.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 63.12 110.881 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 64.02 37.6 9.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 62.4 110.902 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.415 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 11.8 p30 -75.02 -169.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 75.15 110.898 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -103.66 109.0 20.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 70.33 110.903 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.971 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 18.3 p -145.67 141.59 28.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.882 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -115.73 166.77 11.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 35.22 111.136 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.521 HG21 ' CD2' ' A' ' 16' ' ' TYR . 42.2 t -136.94 125.35 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 44.12 111.137 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.26 123.76 40.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 75.3 110.857 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -100.1 22.7 10.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 42.3 111.183 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -122.93 -35.71 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.902 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -130.75 10.88 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 62.02 110.891 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 t30 51.57 71.75 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 73.41 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -132.57 130.7 40.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 71.14 111.08 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 28' ' ' CYS . 10.1 p -111.6 150.32 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 51.15 111.079 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -116.56 47.61 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 52.14 110.807 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.19 138.34 54.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 71.51 110.863 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 61.34 110.827 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.844 0.354 . . . . 64.24 111.087 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 152.74 33.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -118.07 147.23 43.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.915 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.6 m -122.81 136.88 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 72.21 111.139 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.21 -155.3 7.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 51.43 112.456 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 151.19 48.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 75.21 110.863 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.71 -169.21 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 73.41 110.884 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.09 124.32 17.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 70.13 111.125 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -17.08 53.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 61.1 110.902 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.9 m -52.14 -76.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 64.41 110.857 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -125.01 11.45 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 71.24 110.853 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.2 t30 66.73 123.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 72.15 110.859 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 179.36 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 75.41 110.835 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.6 t -75.8 120.09 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 73.2 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.56 159.25 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.14 110.89 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.575 ' CD2' HG21 ' A' ' 45' ' ' VAL . 14.2 p90 -174.92 -169.34 0.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.16 136.1 54.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.35 110.91 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -135.86 163.89 29.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 74.33 110.883 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 70.86 -71.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.865 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.84 32.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.081 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.43 6.62 17.49 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 73.55 112.441 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.67 128.95 38.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.757 0.313 . . . . 73.11 110.89 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -68.83 115.64 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 74.33 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -132.07 145.75 51.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 62.3 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -117.57 136.5 53.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.881 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 tp -140.18 127.88 24.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.162 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 62.11 110.89 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.3 74.7 1.54 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.589 0.709 . . . . 75.43 110.856 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -18.29 37.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.704 2.27 . . . . 55.25 112.331 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.641 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.1 OUTLIER -60.07 -66.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 73.04 110.852 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.3 158.37 17.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 63.44 110.898 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -116.2 -23.14 8.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 64.1 110.824 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.36 -17.73 12.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 64.21 110.86 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -116.23 21.98 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -71.5 -173.79 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 62.24 110.886 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 8.7 m -69.96 114.6 8.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 64.43 110.869 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 p -122.22 32.12 5.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 64.14 111.137 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.34 156.31 43.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 74.21 110.902 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -89.29 120.97 31.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 75.14 110.883 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 64.79 41.63 4.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 62.21 110.893 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -78.05 -168.87 1.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 72.3 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.58 111.05 23.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 71.04 110.904 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.648 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.6 p -139.97 173.2 11.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 64.15 110.829 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.8 p -151.13 132.89 14.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 74.21 111.111 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.575 HG21 ' CD2' ' A' ' 16' ' ' TYR . 90.2 t -92.25 144.15 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 55.35 111.13 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 112.9 20.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.879 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -95.01 25.75 4.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 41.11 111.11 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -116.85 -27.01 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 70.32 110.945 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.84 13.92 3.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 70.5 110.888 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m120 51.57 88.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 53.34 110.86 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.641 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -177.83 179.16 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 61.03 111.104 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -150.87 137.39 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 72.12 111.123 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -94.02 87.76 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 55.11 110.906 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 66.9 m -70.17 160.38 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 72.21 110.928 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.848 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.869 0.366 . . . . 75.01 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 138.6 45.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 54.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -111.97 152.2 28.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.935 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.472 ' HA ' HG22 ' A' ' 44' ' ' THR . 32.1 m -117.07 135.32 53.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.32 111.15 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -164.02 -159.66 11.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 54.42 112.507 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -136.64 165.03 26.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.776 0.322 . . . . 71.45 110.955 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.54 171.11 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 55.02 110.837 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.09 124.81 52.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 53.44 111.128 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.76 -25.64 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.883 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.8 m -49.78 -75.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.836 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -118.77 32.43 6.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 62.14 110.939 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 40.18 39.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 75.05 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.18 103.29 14.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 63.43 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.82 113.84 22.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 64.32 110.88 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 157.34 18.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.878 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE1' HG11 ' A' ' 45' ' ' VAL . 16.3 p90 -162.84 -171.47 2.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.66 136.25 54.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 74.41 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 166.64 23.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 60.12 110.892 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 70.46 -72.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.01 110.882 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -161.13 25.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 70.3 111.148 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.23 7.55 7.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 74.11 112.489 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -69.55 125.95 28.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 70.43 110.899 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -66.64 117.54 8.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 64.43 110.884 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.4 m -129.81 134.2 47.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 54.25 111.137 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -105.58 139.13 40.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 74.5 110.866 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 tp -147.21 129.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.162 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.37 -169.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 73.34 110.879 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.4 77.15 2.17 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.648 0.737 . . . . 72.5 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -17.54 37.51 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 54.21 112.328 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -61.66 -66.09 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.2 110.908 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.67 96.89 6.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -13.59 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.861 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.38 -19.36 12.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -125.3 42.23 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.911 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -174.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.9 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m -69.01 114.76 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 71.04 110.91 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 80.9 p -120.59 46.37 2.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 63.23 111.111 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -161.87 156.76 23.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.5 110.924 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -92.66 124.61 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 75.12 110.895 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 65.9 35.4 6.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 71.15 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -74.13 -170.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.54 110.919 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -105.54 111.74 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.838 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.2 p -149.54 141.12 23.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 4' ' ' THR . 26.1 p -115.8 130.36 56.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 53.22 111.163 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.543 HG11 ' CE1' ' A' ' 16' ' ' TYR . 95.9 t -95.98 144.35 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 72.33 111.176 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.35 117.39 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.844 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -88.04 -25.13 23.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 73.02 111.152 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.52 -22.97 53.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 63.44 110.936 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -118.52 -13.7 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.069 -0.514 . . . . 75.23 110.883 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.46 80.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 62.15 110.922 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.63 -173.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.122 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 p -150.52 152.0 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.136 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -111.23 72.37 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 61.32 110.845 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.771 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 m -51.93 160.09 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 62.43 110.874 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.13 110.842 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.855 0.36 . . . . 40.43 111.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.34 153.89 11.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.87 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -97.13 152.33 18.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.867 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.641 ' HA ' HG22 ' A' ' 44' ' ' THR . 14.9 m -122.55 133.99 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 52.01 111.152 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.68 -153.33 6.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 64.43 112.544 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.42 154.1 44.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.823 0.344 . . . . 53.41 110.903 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -111.78 -168.08 1.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.883 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.02 128.88 26.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.18 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.14 -14.22 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.861 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 t -47.24 -75.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.872 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -131.9 19.77 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 51.11 110.907 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.0 t30 65.6 117.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.5 110.912 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -177.15 95.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 53.35 110.903 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.5 t -74.12 119.8 18.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 62.52 110.914 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.47 151.67 22.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.921 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' CD2' HG21 ' A' ' 45' ' ' VAL . 17.2 p90 -168.86 -171.21 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 72.14 110.926 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -120.29 136.77 54.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 72.24 110.896 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -137.23 167.0 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 72.43 110.875 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.1 -72.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 73.53 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.86 24.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 55.44 111.13 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.72 6.53 7.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 74.04 112.507 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -69.68 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.1 110.849 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.18 115.06 5.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.24 110.885 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -126.74 144.45 50.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 54.23 111.155 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.46 144.3 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 70.42 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.0 tp -155.55 123.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.12 111.129 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -168.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 73.32 110.927 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.7 t -111.51 78.38 1.98 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.657 0.741 . . . . 73.11 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -16.87 37.59 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 73.55 112.328 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -57.14 -66.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 70.52 110.922 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.51 171.36 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.898 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -123.86 -3.25 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 65.45 110.825 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -126.35 0.06 6.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 62.32 110.909 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mmmt -122.18 7.56 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 73.53 110.913 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 154.23 1.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.23 110.899 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.7 m -54.97 107.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.874 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -115.9 46.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.135 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -160.58 153.29 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.51 110.911 179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -86.81 119.79 27.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 62.05 110.841 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 65.46 42.61 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.859 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.6 p30 -79.06 -169.17 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.887 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.32 110.41 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 60.33 110.897 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 32.1 p -147.66 135.32 20.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.1 110.887 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.641 HG22 ' HA ' ' A' ' 4' ' ' THR . 5.3 p -109.99 146.88 34.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.128 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.679 HG22 HG23 ' A' ' 52' ' ' VAL . 90.9 t -115.95 144.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 64.35 111.117 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.2 134.16 53.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.842 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.4 t -109.61 8.05 24.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.128 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -116.35 -22.68 8.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.926 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -118.68 -12.7 9.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.14 110.829 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 64.24 81.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.896 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -178.49 166.85 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 75.15 111.1 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.679 HG23 HG22 ' A' ' 45' ' ' VAL . 2.5 p -130.07 160.37 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.123 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -120.15 61.25 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -50.63 154.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 70.42 110.932 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.875 179.91 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 71.04 111.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 136.1 51.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 62.05 110.891 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -76.79 120.85 22.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 54.1 110.905 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.6 m -99.78 135.09 41.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 72.44 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.59 -152.72 6.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 50.11 112.486 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.67 154.34 44.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 64.24 110.906 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -108.72 -168.75 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 74.14 110.902 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.0 121.04 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 75.33 111.154 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -19.23 39.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.53 110.909 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 m -50.38 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.89 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.19 15.0 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.0 t30 66.73 125.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 61.51 110.919 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -177.69 85.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 64.23 110.877 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 6.5 t -68.96 109.16 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 64.4 110.911 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.44 152.62 34.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.901 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -170.4 -169.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.92 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.17 145.04 47.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 65.51 110.869 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.26 -75.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 43.14 110.879 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -55.06 -75.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 65.22 110.828 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.96 -39.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 73.4 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -158.74 21.21 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.672 -0.775 . . . . 64.22 112.478 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.65 106.79 17.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 74.43 110.885 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.47 95.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 61.13 110.858 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.9 m -103.89 138.23 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.117 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -106.88 138.27 43.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 73.33 110.88 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.2 tp -133.66 125.72 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 73.32 111.116 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 pttt -55.12 178.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 64.13 110.911 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.13 84.49 2.81 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.654 0.74 . . . . 72.23 110.904 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.47 36.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.671 2.247 . . . . 74.44 112.354 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.914 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -106.16 150.33 25.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 62.32 110.887 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -111.02 -27.6 8.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.831 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.94 -14.09 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 63.31 110.858 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -119.09 24.22 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 73.43 110.887 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -75.15 -169.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.918 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 7.8 m -58.27 110.25 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.915 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 35' ' ' LYS . 65.3 p -119.31 41.68 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 71.01 111.17 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -155.45 153.32 30.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.11 110.932 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -86.73 119.98 27.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 75.41 110.854 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 65.28 44.91 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.42 110.877 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.6 p30 -82.38 -169.38 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -101.13 109.15 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.34 110.897 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 16.9 p -151.49 140.95 21.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 63.12 110.859 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 p -112.54 -173.51 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 75.32 111.084 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.4 t -150.24 127.1 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 75.33 111.136 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -102.68 109.79 21.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -81.32 -0.08 39.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.139 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -82.07 -42.48 19.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 72.34 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.552 ' ND2' ' HB2' ' A' ' 51' ' ' ALA . 1.8 p-10 -139.03 22.02 2.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 52.12 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 51.82 70.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.552 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . . . -121.56 131.21 54.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.24 111.138 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.0 p -108.99 137.45 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 55.1 111.163 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.34 53.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 54.23 110.849 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.705 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 30.1 m -50.56 143.02 9.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 65.02 110.849 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 71.51 110.837 179.928 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.892 0.377 . . . . 51.41 111.079 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.511 ' HZ2' HG21 ' A' ' 44' ' ' THR . 0.0 OUTLIER -152.63 155.26 36.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 54.51 110.88 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -101.55 153.22 19.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.945 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.744 HG23 HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -116.55 135.26 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 71.5 111.15 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.29 -162.52 19.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 41.44 112.454 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 154.06 48.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 63.02 110.838 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -168.94 1.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 64.5 110.874 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.13 122.21 16.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 71.54 111.164 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 pptp? -59.5 -18.56 41.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.34 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -49.11 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 72.45 110.886 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.54 10.52 9.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.13 117.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.856 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.14 94.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.863 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.2 m -70.19 108.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.34 110.925 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -74.66 148.05 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 64.13 110.892 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -163.59 -169.54 1.96 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.935 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt -121.01 137.21 54.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.918 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -129.1 -41.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.881 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.536 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.99 32.48 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 75.42 110.836 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.31 47.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 51.42 111.127 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 127.06 -23.83 5.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 42.4 112.481 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -51.8 103.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 72.21 110.909 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.55 100.01 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.438 . . . . 74.53 110.85 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.2 m -121.67 141.56 51.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 61.14 111.172 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -98.1 144.24 27.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 73.24 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.1 tp -140.46 117.86 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 64.15 111.132 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -50.88 169.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.13 110.881 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.41 ' HA ' HG12 ' A' ' 52' ' ' VAL . 3.6 m -111.51 78.4 1.98 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.681 0.753 . . . . 72.25 110.896 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.2 34.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.717 2.278 . . . . 72.12 112.387 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -52.0 -63.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.31 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.75 98.01 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.2 -7.54 53.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 71.22 110.83 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.3 11.88 8.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 53.5 110.911 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -153.45 22.83 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.881 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.41 168.95 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 65.33 110.883 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.7 m -51.38 117.11 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 62.51 110.815 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 p -126.71 37.43 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 75.11 111.164 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -149.95 155.11 39.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.889 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -89.65 120.86 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.866 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.5 m120 64.46 41.01 5.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.0 p30 -78.15 -170.75 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.909 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 tptt -105.92 112.3 25.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 73.21 110.916 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.59 144.81 26.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 75.5 110.853 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.744 HG22 HG23 ' A' ' 4' ' ' THR . 34.8 p -121.05 139.47 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 60.41 111.128 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.6 t -96.23 140.7 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.43 111.135 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.65 112.74 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 54.42 110.85 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -94.85 26.32 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.168 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -116.63 -25.55 7.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 75.34 110.879 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -136.88 13.08 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.04 110.911 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.1 m120 51.39 83.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -173.86 163.13 4.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 53.31 111.094 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 28' ' ' CYS . 3.4 p -137.07 151.35 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 71.14 111.176 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -95.86 55.75 1.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 70.51 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 1.211 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 1.8 m -63.72 134.97 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 60.42 110.874 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 74.13 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.836 0.351 . . . . 65.23 111.11 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.37 109.42 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 51.43 110.85 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -96.16 152.43 18.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.925 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.528 ' HA ' HG22 ' A' ' 44' ' ' THR . 0.2 OUTLIER -110.87 132.01 54.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.174 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.72 -160.6 10.44 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 62.44 112.449 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -142.54 153.58 43.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 72.43 110.877 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -100.49 -169.73 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 65.24 110.917 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.69 114.83 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.2 111.123 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -18.58 36.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 62.55 110.859 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.2 t -49.7 -67.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 71.24 110.88 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 23.41 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.904 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.8 120.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.886 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 179.98 102.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 64.12 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -95.57 119.77 34.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 74.43 110.872 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.75 156.14 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.831 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -166.48 -170.06 1.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.32 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.06 144.68 44.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 54.03 110.882 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -69.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.851 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -75.42 -72.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 64.12 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.87 62.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.21 111.119 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.53 6.53 62.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 70.43 112.471 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -58.46 100.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.746 0.308 . . . . 72.03 110.9 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -61.67 94.39 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 60.03 110.833 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.0 m -116.02 118.37 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 73.23 111.155 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -74.35 126.1 29.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.891 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.5 tp -132.12 121.36 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.181 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -56.05 177.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 71.35 110.936 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 m -110.22 82.36 2.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.599 0.714 . . . . 74.21 110.862 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -18.28 37.25 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.689 2.26 . . . . 64.22 112.395 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.502 ' CE ' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -60.55 -63.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.893 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.51 88.02 2.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.87 -7.92 54.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.094 -0.503 . . . . 62.2 110.857 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.89 9.45 9.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.908 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -153.53 26.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.897 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -51.74 170.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.889 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.6 p -48.93 147.77 2.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 75.22 110.892 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 p -140.12 15.03 2.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 55.45 111.105 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -134.04 147.19 50.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 64.55 110.902 179.828 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.82 128.43 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.892 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 55.7 46.73 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 20.2 p30 -85.95 -168.62 2.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 71.22 110.878 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -98.88 108.33 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.921 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 13.9 p -143.56 140.67 30.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 73.55 110.861 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' THR . 25.2 p -120.12 128.24 53.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 72.52 111.115 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.4 t -90.43 132.61 34.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 63.44 111.083 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.54 92.21 3.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 71.42 110.913 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.1 p -66.35 -13.85 61.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 63.3 111.155 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -51.52 -37.62 50.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.962 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -153.35 26.79 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 71.12 110.901 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.2 m120 51.77 81.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 64.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB1' ' CE ' ' A' ' 30' ' ' LYS . . . -160.24 93.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 54.51 111.111 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -82.03 159.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 74.41 111.111 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -108.44 53.87 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 74.05 110.82 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 30.9 m -56.83 130.21 44.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.886 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 70.21 110.875 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.825 0.345 . . . . 64.43 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 143.12 27.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 65.42 110.877 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -120.05 150.67 40.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' ' 44' ' ' THR . 60.2 m -121.71 136.07 54.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 60.24 111.13 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.06 -164.78 17.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.751 -0.737 . . . . 55.41 112.512 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -138.46 159.19 42.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 72.32 110.927 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -168.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 74.03 110.899 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.81 126.28 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 62.23 111.111 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.72 -16.4 48.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.919 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -49.46 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.827 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -128.27 14.64 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 73.12 110.886 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.9 t30 66.04 120.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.34 110.878 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -179.94 93.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -82.22 110.48 17.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 60.45 110.903 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 155.96 27.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.935 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.578 ' CG ' HG21 ' A' ' 45' ' ' VAL . 10.3 p90 -164.63 -173.46 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.881 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.72 136.57 54.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.916 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.48 -39.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 51.12 110.869 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -95.67 30.65 2.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.873 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 72.66 48.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.23 111.103 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.62 -22.88 5.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 64.14 112.438 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.75 103.65 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 63.11 110.927 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -64.25 94.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 75.01 110.847 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.4 m -107.19 131.89 53.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 52.43 111.172 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -99.29 126.93 45.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 64.11 110.878 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.2 tp -137.73 124.94 29.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.13 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.6 mtmm -68.55 -168.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 62.41 110.922 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.434 ' HA ' HG12 ' A' ' 52' ' ' VAL . 11.3 t -114.36 70.29 2.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.623 0.725 . . . . 55.14 110.897 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -15.11 36.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.701 2.268 . . . . 45.2 112.342 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.668 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -46.54 -59.79 2.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.87 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.23 -40.32 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.871 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 67.39 10.21 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 62.22 110.891 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.13 -37.44 1.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -111.39 26.97 10.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 61.33 110.897 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.44 168.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 71.32 110.915 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.95 120.96 4.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 p -120.75 33.37 5.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 70.23 111.157 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -148.67 158.39 44.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 63.33 110.901 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.32 121.78 33.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 74.51 110.88 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 m120 64.07 37.82 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 64.44 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 11.5 p30 -72.49 -170.42 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 71.24 110.881 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -106.74 112.38 25.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 70.22 110.89 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 19.9 p -146.28 138.86 25.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 64.53 110.919 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 4' ' ' THR . 17.9 p -117.12 129.89 56.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.13 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.656 HG22 HG23 ' A' ' 52' ' ' VAL . 91.9 t -84.06 143.99 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 73.51 111.157 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.27 89.01 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.888 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 27.3 p -63.35 -16.16 59.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 72.21 111.12 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -51.59 -43.43 62.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.64 22.32 2.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 54.55 110.88 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 51.67 83.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 71.42 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.668 ' HB1' ' HG3' ' A' ' 30' ' ' LYS . . . -165.13 109.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 72.42 111.062 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 HG22 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -75.58 148.06 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 73.32 111.124 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -102.08 56.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.864 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.6 p -51.0 147.82 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.846 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 71.54 110.886 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.883 0.373 . . . . 72.43 111.119 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -67.33 125.32 25.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.929 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -109.96 145.29 37.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 63.42 110.939 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.7 m -115.21 137.79 51.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 73.31 111.159 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.38 -157.22 9.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 64.13 112.529 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.2 154.46 44.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 70.54 110.931 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -109.69 -169.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.26 -0.427 . . . . 43.45 110.889 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 HG22 ' OD2' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -139.74 124.43 18.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 51.43 111.192 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -17.1 51.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.888 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -50.39 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 70.12 110.859 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -119.27 8.23 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 62.34 110.887 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.24 111.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.15 110.9 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -173.4 101.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 54.31 110.901 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.9 t -71.11 114.91 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 70.43 110.837 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 14.5 ttpp -81.5 145.97 30.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.465 . . . . 65.45 110.937 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.554 ' CD2' HG21 ' A' ' 45' ' ' VAL . 16.2 p90 -164.65 -177.95 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 61.1 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.29 146.04 48.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.088 -0.505 . . . . 72.45 110.937 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.19 -41.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 73.41 110.929 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -95.5 30.28 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.12 110.895 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.25 48.48 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 61.41 111.076 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.82 -23.33 5.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 61.01 112.466 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -50.83 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.746 0.307 . . . . 73.24 110.928 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.75 98.21 0.18 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.839 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.3 m -109.25 125.25 52.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 71.44 111.15 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -98.99 126.85 44.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 75.31 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.3 tp -134.47 124.13 44.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.146 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -169.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 55.41 110.883 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.5 t -110.96 79.28 1.85 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 65.25 110.902 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -17.61 37.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.675 2.25 . . . . 63.03 112.363 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -63.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.889 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.31 -169.94 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.837 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -131.23 -39.76 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 71.42 110.929 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.41 13.54 17.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.24 110.892 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -125.42 1.33 7.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 63.13 110.884 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HD2' HG23 ' A' ' 37' ' ' THR . 0.5 OUTLIER -50.01 165.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 75.53 110.865 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 13.4 m -51.46 113.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.89 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.567 HG23 ' HD2' ' A' ' 35' ' ' LYS . 10.4 p -120.13 34.4 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 75.44 111.103 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -147.77 155.45 41.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 54.51 110.876 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.442 ' OD2' HG22 ' A' ' 8' ' ' THR . 33.1 m-20 -88.42 121.27 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.827 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 64.36 42.41 5.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.877 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.1 p30 -79.08 -169.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.42 110.898 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -103.21 111.67 24.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 73.55 110.864 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.86 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.0 p -147.93 138.67 23.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 60.13 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.2 p -118.12 130.6 56.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.208 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.554 HG21 ' CD2' ' A' ' 16' ' ' TYR . 93.7 t -95.89 143.73 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 61.14 111.144 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.69 89.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.43 110.842 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 p -64.87 -15.35 61.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 65.5 111.138 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -52.36 -45.0 65.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 61.43 110.889 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.79 21.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 74.33 110.882 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.53 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 71.55 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -172.51 128.17 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 74.03 111.118 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.77 150.4 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 60.22 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -111.73 64.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 73.6 m -51.01 158.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.916 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 63.01 110.843 179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.848 0.356 . . . . 63.42 111.126 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.15 167.58 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.42 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -91.84 153.08 19.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 74.53 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 44' ' ' THR . 9.3 m -131.68 135.98 47.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 75.42 111.113 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.88 -153.37 6.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 61.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.73 150.43 40.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 73.42 110.885 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.34 168.79 9.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.872 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.18 121.65 29.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 42.01 111.144 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -16.36 49.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.87 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -48.88 -59.96 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.868 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -144.09 14.03 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 74.23 110.924 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.76 117.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 55.14 110.894 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 179.46 109.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.34 110.901 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.0 t -86.43 119.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 52.44 110.907 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.41 153.41 22.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.881 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -174.54 -169.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.938 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -118.72 147.09 44.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.892 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.41 -71.87 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 65.45 110.895 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.9 -74.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 74.53 110.945 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.24 60.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 61.21 111.121 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.31 6.21 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 73.42 112.504 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 105.05 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.781 0.324 . . . . 74.23 110.915 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.77 94.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -122.53 133.66 54.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.156 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.05 132.94 38.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.896 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 ' O ' ' A' ' 26' ' ' ILE . 5.5 tp -129.71 119.69 48.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.166 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -54.54 175.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 71.04 110.884 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 2.7 m -111.71 77.38 1.83 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.665 0.745 . . . . 64.41 110.855 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.1 37.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 74.23 112.368 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -65.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.7 89.53 3.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.894 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -67.38 -13.28 61.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 52.3 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -112.67 -23.82 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.867 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.74 31.35 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 64.22 110.913 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -66.27 -174.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.32 110.926 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 34.7 m -51.91 138.35 24.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 72.44 110.865 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.7 p -145.14 14.52 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.142 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -141.59 177.74 7.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.903 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -113.69 129.83 56.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 75.45 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.01 24.06 13.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.901 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' ND2' ' H ' ' A' ' 41' ' ' ASN . 2.4 p30 -67.57 -173.52 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.86 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -100.55 117.41 34.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.43 110.933 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.44 139.55 25.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 64.32 110.831 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 4' ' ' THR . 57.0 p -120.16 144.55 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 71.53 111.163 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 52' ' ' VAL . 86.4 t -111.39 139.86 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.159 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.55 118.15 29.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.35 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.9 t -89.98 46.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 61.2 111.173 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -120.93 -33.01 3.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.94 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -154.99 24.21 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.858 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.8 m-20 51.49 83.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 75.4 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -154.26 108.64 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 40.35 111.086 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.462 HG23 HG22 ' A' ' 45' ' ' VAL . 3.8 p -93.17 162.01 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 63.4 111.166 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -115.49 56.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 73.24 110.843 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 1.228 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 53.3 m -61.34 140.81 57.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 64.34 110.864 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.24 110.873 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.874 0.369 . . . . 72.41 111.103 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt 63.27 150.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.45 110.88 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -115.21 122.3 45.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.474 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -98.72 131.03 45.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 75.25 111.159 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.15 -160.78 10.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.42 153.46 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 75.32 110.876 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -110.73 -168.88 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 74.02 110.895 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.91 126.52 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.13 111.136 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -15.85 51.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 62.02 110.904 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.5 t -48.96 -62.91 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 73.53 110.842 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 11.89 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 71.04 110.867 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.65 109.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 64.33 110.89 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -169.68 92.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 62.24 110.909 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 47.3 t -65.21 124.4 22.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 72.44 110.885 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -85.18 142.6 29.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.896 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.439 ' N ' ' HG3' ' A' ' 15' ' ' LYS . 3.9 p90 -172.56 -171.75 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 54.15 110.941 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 144.13 49.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 70.02 110.899 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -106.99 -52.98 2.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.905 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.92 -43.13 18.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.855 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -178.53 -48.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.13 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.36 9.34 2.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 71.34 112.521 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -68.49 106.08 2.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 73.13 110.891 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.55 94.35 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.879 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.8 m -118.72 136.7 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 75.0 111.149 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -92.82 141.46 28.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 74.41 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG21 ' CG2' ' A' ' 45' ' ' VAL . 6.7 tp -136.64 123.59 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 70.33 111.138 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 179.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.876 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.94 76.78 1.28 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.666 0.746 . . . . 72.33 110.89 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -18.89 36.53 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.658 2.239 . . . . 73.23 112.364 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.63 -63.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.44 110.896 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.67 165.19 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 72.54 110.867 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.23 -27.86 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 75.03 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.61 18.5 8.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 73.34 110.909 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -138.45 10.88 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 64.1 110.862 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -53.71 166.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.89 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 6.8 m -51.23 107.1 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.43 110.881 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 p -119.29 32.11 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 73.13 111.138 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.4 OUTLIER -144.18 156.24 44.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 65.15 110.937 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -88.87 120.96 30.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.835 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.0 m120 64.95 41.14 4.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 73.44 110.924 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 13.2 p30 -78.07 -169.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.852 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -105.33 111.54 24.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 70.32 110.924 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.836 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 31.7 p -143.12 134.47 26.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 75.44 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 HG22 ' HA ' ' A' ' 4' ' ' THR . 16.9 p -117.64 122.32 43.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 73.13 111.102 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 26' ' ' ILE . 79.2 t -88.29 144.52 9.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.131 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 116.59 28.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 63.44 110.867 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -92.04 40.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 52.34 111.162 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -120.49 -32.61 4.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.909 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -150.55 19.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 72.54 110.875 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.0 m120 57.87 96.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 72.4 110.894 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -175.96 133.95 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 53.5 111.095 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 p -115.61 149.98 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 61.41 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.29 70.4 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 72.33 110.869 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.833 ' SG ' ' SG ' ' A' ' 36' ' ' CYS . 99.7 m -53.36 167.3 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 63.44 110.889 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 60.24 110.876 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.873 0.368 . . . . 71.13 111.093 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.52 137.33 39.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 71.43 110.864 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -86.37 135.8 33.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.947 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.56 ' HA ' HG22 ' A' ' 44' ' ' THR . 4.6 m -105.23 130.5 53.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.162 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -160.7 -160.09 10.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 72.31 112.494 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 166.05 23.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 74.44 110.907 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -121.4 -169.86 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 63.32 110.902 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -134.06 122.62 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 73.33 111.178 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -22.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.929 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 t -65.22 86.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.32 110.83 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.27 9.5 7.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 73.31 110.908 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.05 135.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.55 110.883 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -178.33 93.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 54.2 110.856 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -77.74 125.96 30.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 65.52 110.884 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.56 144.35 31.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.916 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.565 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 2.9 p90 -158.53 -169.1 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 74.42 110.92 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -120.04 117.34 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.43 110.904 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -117.05 174.49 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 62.01 110.862 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.61 -73.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 50.14 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -165.06 27.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 72.05 111.069 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 123.24 5.03 8.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.706 . . . . 63.04 112.515 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.97 127.67 33.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 65.13 110.884 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.15 117.58 15.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.12 110.878 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -139.73 141.62 36.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.21 111.161 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -95.53 162.37 13.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 70.13 110.899 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -169.86 123.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 63.0 111.136 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -60.72 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.873 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' HA ' HG11 ' A' ' 52' ' ' VAL . 28.3 t -107.78 88.24 4.25 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 65.31 110.893 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 74.51 112.335 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -57.23 -68.4 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.874 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.66 161.57 17.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 71.42 110.861 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.69 -17.71 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 64.42 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.35 18.69 9.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.897 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -141.97 20.01 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.13 110.894 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' O ' HG23 ' A' ' 37' ' ' THR . 0.2 OUTLIER -65.63 167.13 9.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.905 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 5.5 m -50.83 111.8 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 61.14 110.933 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 35' ' ' LYS . 32.5 p -119.06 47.5 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 64.23 111.172 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.68 158.35 20.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 71.32 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -91.67 123.27 34.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.833 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.2 m120 64.11 39.24 7.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 73.41 110.848 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -78.76 -168.88 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.895 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -103.95 110.31 22.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 71.33 110.875 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.284 ' SG ' ' SG ' ' A' ' 7' ' ' CYS . 21.1 p -150.3 139.49 21.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 51.43 110.887 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 4' ' ' THR . 67.1 p -110.21 176.15 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 70.01 111.149 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 91.9 t -149.56 126.17 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 111.12 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' ALA . 0.5 OUTLIER -99.29 125.77 44.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 72.25 110.887 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.4 t -98.86 21.99 10.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 62.44 111.141 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -119.7 -39.7 2.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.962 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -133.61 15.19 4.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 71.24 110.891 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t30 51.61 78.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 72.42 110.868 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . . . -130.71 126.35 36.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.33 111.092 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 ' H ' ' A' ' 54' ' ' CYS . 8.3 p -113.42 147.39 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 71.5 111.156 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -116.21 42.27 2.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.53 110.925 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' VAL . 10.1 p -55.6 137.84 48.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 63.25 110.903 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.897 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.888 0.375 . . . . 51.44 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.66 127.23 34.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 72.44 110.891 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.24 151.7 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 74.33 110.962 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.421 ' HA ' HG22 ' A' ' 44' ' ' THR . 91.3 m -128.72 143.79 51.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.18 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.55 -163.92 24.4 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.755 -0.736 . . . . 61.05 112.504 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 151.79 49.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 62.14 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -168.47 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 71.14 110.879 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.79 123.83 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 75.2 111.158 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -18.88 33.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.872 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 t -47.97 -74.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 54.33 110.874 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -125.93 12.29 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 44.14 110.913 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.53 115.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 71.45 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -170.39 92.16 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 65.03 110.855 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -74.48 112.95 11.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 54.4 110.875 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.84 150.3 25.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.889 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.539 ' CE2' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.79 -179.85 3.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 71.22 110.932 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 151.11 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.891 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.96 -71.61 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 64.14 110.85 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.56 -74.97 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.882 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.54 61.87 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 75.42 111.094 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.88 7.38 62.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 71.51 112.492 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 100.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 71.22 110.929 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -63.71 92.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.831 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 m -110.28 119.88 40.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 70.2 111.14 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -82.74 134.48 35.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.909 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -148.07 135.78 14.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.113 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.91 -166.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 73.42 110.871 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.51 86.9 3.81 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 75.14 110.914 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.433 ' HD2' HG11 ' A' ' 52' ' ' VAL . 53.5 Cg_endo -69.78 -17.6 37.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.706 2.271 . . . . 63.41 112.337 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -62.56 -65.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.873 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.8 169.31 8.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.885 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.17 -24.63 7.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 74.45 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -120.19 -8.21 9.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.11 110.876 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -111.3 16.57 20.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.911 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -178.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 75.24 110.953 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.5 m -67.57 115.71 7.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.04 110.906 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.9 t -124.19 48.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 61.42 111.138 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.2 OUTLIER -159.99 152.3 20.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 71.13 110.912 179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -86.78 120.15 27.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 74.51 110.896 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 63.87 42.49 5.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.88 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 12.5 p30 -77.11 -171.71 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 62.04 110.834 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -107.7 109.16 20.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 64.41 110.876 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 15.5 p -146.26 142.96 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 30.25 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.421 HG22 ' HA ' ' A' ' 4' ' ' THR . 12.1 p -112.97 179.95 3.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.19 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG11 ' CE2' ' A' ' 16' ' ' TYR . 59.3 t -149.22 142.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 62.32 111.156 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.56 111.98 15.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.849 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.4 t -71.02 -17.64 62.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.131 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -51.73 -46.8 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.897 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.56 32.03 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 61.21 110.883 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 m120 51.87 79.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.898 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -127.87 114.88 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 65.43 111.123 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG11 ' HD2' ' A' ' 29' ' ' PRO . 7.4 p -105.95 138.02 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 71.31 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -105.92 57.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.889 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 95.8 m -50.66 144.47 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 54.12 110.861 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.2 t0 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 64.03 110.882 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.862 0.363 . . . . 63.51 111.085 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 -175.99 5.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.891 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -124.04 157.58 34.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 62.21 110.928 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.597 ' HA ' HG22 ' A' ' 44' ' ' THR . 26.8 m -125.71 133.53 52.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 73.32 111.191 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.09 -163.12 17.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 75.12 112.498 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -136.69 158.87 43.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 74.24 110.904 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.84 -169.32 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 73.11 110.87 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' OD1' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -133.58 116.15 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 44.23 111.137 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -22.44 6.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.9 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.9 t -46.55 -75.77 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.12 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.65 10.99 9.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 73.13 110.89 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.73 119.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.15 110.86 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -179.84 98.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 75.24 110.887 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.41 109.46 14.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 63.41 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 149.81 31.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 64.22 110.908 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.603 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 8.8 p90 -168.77 -169.92 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 73.55 110.926 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.88 133.65 55.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.23 110.874 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -118.54 -41.59 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 71.43 110.892 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.545 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -96.37 34.55 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.904 179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 19' ' ' ASP . . . 73.82 23.22 2.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 54.11 111.105 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 154.33 -19.13 0.62 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 63.53 112.448 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 103.46 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.778 0.323 . . . . 64.44 110.91 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.35 113.09 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 73.2 110.855 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.8 m -136.96 133.28 35.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 51.14 111.108 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -86.75 170.61 11.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 73.35 110.842 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.1 tp -177.57 122.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 73.5 111.089 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -74.77 143.81 43.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 55.22 110.909 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.495 ' HA ' HG12 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -48.79 107.56 0.79 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.624 0.726 . . . . 74.33 110.867 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HD2' HG12 ' A' ' 52' ' ' VAL . 53.2 Cg_endo -69.83 -40.14 5.56 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.707 2.271 . . . . 60.44 112.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -52.88 -63.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.22 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.46 102.52 10.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 72.04 110.889 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.69 -7.19 52.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 64.22 110.919 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.29 -23.9 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.888 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -112.78 23.31 13.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.876 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 37' ' ' THR . 0.0 OUTLIER -60.69 -172.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.838 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 4.4 m -51.16 126.74 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 72.44 110.902 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 35' ' ' LYS . 71.4 p -129.67 32.38 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.141 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -151.14 158.42 43.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 75.44 110.859 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' OD1' HG22 ' A' ' 8' ' ' THR . 34.2 m-20 -95.81 127.59 41.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 75.1 110.856 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 64.57 30.73 12.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 73.4 110.858 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 14.3 p30 -70.79 -169.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.25 110.917 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.91 108.95 19.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 71.2 110.882 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 16.9 p -143.6 141.18 30.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 72.14 110.905 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -121.87 122.37 39.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 61.31 111.119 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.603 HG11 ' CZ ' ' A' ' 16' ' ' TYR . 90.1 t -83.72 136.03 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 64.33 111.18 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.54 99.82 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -67.5 -13.69 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.172 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -51.72 -47.69 63.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.6 24.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 73.3 110.906 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 51.79 87.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.33 110.887 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -168.04 105.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 60.32 111.097 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 28' ' ' CYS . 6.7 p -87.19 147.27 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 61.44 111.181 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -92.58 60.84 3.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.911 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 12.4 p -58.86 138.52 57.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.21 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 65.02 110.852 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.849 0.357 . . . . 64.43 111.151 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -128.6 124.99 37.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 60.52 110.869 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.45 128.21 44.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 75.23 110.906 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 m -99.5 130.34 45.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 61.14 111.142 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.86 -149.75 5.17 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 43.54 112.516 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -142.91 158.79 43.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 72.34 110.888 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.42 -168.03 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 64.44 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.06 113.31 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 74.1 111.164 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.59 -20.58 21.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.882 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.3 m -49.98 -75.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 75.24 110.862 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -118.69 7.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.22 110.875 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 62.25 108.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 60.35 110.88 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -175.69 110.73 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.864 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.656 ' HB3' HG21 ' A' ' 52' ' ' VAL . 40.9 t -84.06 123.18 29.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.865 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 149.03 21.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.888 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' HG21 ' A' ' 45' ' ' VAL . 22.3 p90 -158.4 -168.72 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 64.53 110.946 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.67 130.97 56.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.879 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.68 -74.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.32 110.92 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -57.15 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 70.33 110.87 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -151.73 24.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.23 111.129 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.51 -8.24 3.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 35.22 112.478 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -52.59 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 62.34 110.892 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -59.2 97.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 71.12 110.844 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.1 m -107.84 116.85 32.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 73.55 111.142 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -85.37 141.59 29.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 73.32 110.875 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 26' ' ' ILE . 6.5 tp -145.26 125.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 53.43 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 178.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 74.3 110.9 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 27.4 t -110.75 78.11 1.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.695 0.76 . . . . 73.25 110.873 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -19.02 36.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 53.5 112.352 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -51.29 -62.4 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.73 104.83 9.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.895 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.96 -10.0 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 71.34 110.894 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -20.38 12.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.881 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -118.87 22.6 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 54.5 110.916 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 37' ' ' THR . 0.1 OUTLIER -57.92 -178.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.913 179.85 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 60.5 m -49.1 140.08 9.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 65.35 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 35' ' ' LYS . 49.8 p -138.64 18.19 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 72.4 111.155 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ASN . 0.0 OUTLIER -152.17 158.95 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.871 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.8 126.6 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.853 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 63.58 35.2 11.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 25.4 110.884 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' LYS . 17.3 p30 -75.16 -167.56 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 72.22 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -103.61 107.55 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.856 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.3 p -126.13 -170.32 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 70.01 110.921 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -166.28 129.04 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.33 111.163 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 ' CD1' ' A' ' 16' ' ' TYR . 90.1 t -104.66 129.63 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 61.35 111.156 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.98 120.06 41.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 61.02 110.857 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -93.35 39.59 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.452 . . . . 34.55 111.161 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -120.65 -33.4 3.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.93 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.25 16.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.32 110.87 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 t30 51.36 87.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.21 110.867 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -163.98 114.75 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.3 111.088 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG21 ' HB3' ' A' ' 14' ' ' CYS . 2.4 p -91.75 143.31 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 60.14 111.113 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -100.29 55.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.33 110.881 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 7.3 p -51.81 141.04 18.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.879 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 60.53 110.858 179.945 . . . . . . . . 0 0 . 1 stop_ save_