data_2gri_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 2gri _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.57 -81.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -112.68 91.57 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.83 148.93 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -174.7 134.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.97 60.03 8.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -171.04 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 t -176.09 170.35 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.64 163.38 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 m95 62.74 16.67 9.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.53 -40.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.99 -36.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.03 -30.14 24.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.87 40.09 84.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -154.34 174.47 14.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.42 -175.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -135.23 127.03 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -136.48 147.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.2 160.5 29.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.03 130.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.0 m -161.37 75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -121.51 -77.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -176.83 134.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.69 -56.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.24 -36.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.82 -46.33 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -100.91 39.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.62 -42.13 43.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -14.45 61.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -71.82 -19.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.65 3.18 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -120.19 -30.51 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -110.77 -43.85 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -41.44 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.8 86.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.53 -0.98 15.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.44 136.04 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -143.43 156.25 44.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -98.73 141.76 31.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.3 t -118.96 118.63 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -174.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 t -77.49 -57.01 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.75 90.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -140.86 163.35 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.01 157.92 18.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.9 -15.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.8 t -91.12 -24.02 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -32.46 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.34 -19.26 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.52 -8.67 56.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.5 t -112.38 -14.39 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.66 -24.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -89.14 -42.78 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.45 -23.65 63.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.35 -34.95 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.66 -23.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.0 t -78.62 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -26.38 57.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.3 m -76.31 -24.7 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.5 mp -119.39 56.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.719 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mt-30 -126.87 36.66 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.61 68.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -27.54 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.6 -27.47 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.5 mt -86.08 -48.3 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -51.38 -49.46 61.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -24.69 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -82.98 -24.01 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtm -92.6 -24.98 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.62 -16.46 5.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 98.5 mt -84.51 114.57 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.79 134.14 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.0 -29.52 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -23.7 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.66 -31.09 41.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -55.73 -38.8 70.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 p -73.39 -25.07 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.28 39.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.39 171.31 8.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.3 t -95.55 133.9 39.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -119.2 95.18 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -86.2 105.24 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.05 111.9 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.98 172.77 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 -166.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.64 -2.7 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.89 -19.83 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.61 6.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.75 172.21 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.94 81.55 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.92 158.51 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -120.52 58.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -79.62 -169.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.79 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -140.8 121.04 13.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -125.57 132.42 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -79.14 155.07 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 p -111.24 97.04 6.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.52 140.26 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -80.66 -37.09 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -69.97 154.16 94.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.6 23.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 102.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 47.09 -99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 p -126.43 92.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.73 163.61 36.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -174.71 144.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.22 61.25 6.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.69 -56.34 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.81 -62.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -175.73 173.56 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.59 164.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 m95 61.71 17.59 8.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.53 -37.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.15 -34.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -49.73 -44.48 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.16 37.18 12.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.55 162.95 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -136.68 -176.27 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -138.43 107.65 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.18 153.35 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 135.62 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.46 123.95 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 m -162.15 84.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -120.97 -76.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.57 131.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -150.19 -42.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.09 163.54 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.18 -20.33 11.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -24.99 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 m -129.91 39.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.98 -31.35 56.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -15.69 59.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -78.96 -5.48 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -120.35 -0.07 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.63 -16.05 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -112.49 -51.93 2.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -50.15 -46.96 54.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.1 t -178.31 92.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.06 -2.78 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -100.41 140.64 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -147.03 145.07 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.46 150.21 24.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.47 120.86 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.75 -20.91 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.57 10.94 32.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.7 169.39 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 111.154 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.97 155.23 29.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 t -61.99 -17.25 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -89.94 -23.58 21.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -27.5 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -81.8 -15.59 53.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.0 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 8.45 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.16 -23.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.7 t -97.0 -24.91 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.42 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -24.09 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.33 0.66 40.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.4 m -109.97 -37.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.29 -73.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -52.64 -39.14 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -63.53 -26.68 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.8 mp -122.24 60.08 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.4 mt-30 -126.85 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -153.4 66.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -25.05 55.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -29.65 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.07 -51.86 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -51.26 -50.98 58.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -24.34 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.35 -28.44 18.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.3 mtm -80.46 -22.94 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.73 0.5 8.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -104.06 115.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.21 133.94 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.85 -24.57 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -23.34 47.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.5 -31.17 47.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -54.79 -38.02 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.02 -23.28 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -120.99 39.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -118.48 -176.79 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -114.73 135.08 54.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -123.74 109.99 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -86.87 119.34 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.73 88.85 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -86.09 -179.51 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.48 -167.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.48 0.61 32.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.35 -5.34 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.84 16.48 59.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.09 153.42 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -90.86 72.67 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -127.13 -174.68 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.34 59.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -79.9 -171.61 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -37.1 44.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtp -124.64 99.85 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.33 163.79 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.03 82.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.37 141.99 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -97.13 53.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -174.82 154.71 1.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.722 0.772 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.11 131.15 50.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.55 -99.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -142.69 27.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.07 166.63 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -171.56 135.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.3 75.81 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -108.48 -52.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -166.36 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -175.99 170.94 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.11 164.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.5 m95 61.84 17.52 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -138.73 -38.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.62 -34.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -49.52 -43.47 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.57 37.0 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -154.71 168.54 26.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 -176.2 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.1 124.06 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -144.2 141.21 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -108.08 162.06 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.2 mm -128.66 121.29 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -161.55 87.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -120.1 -76.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.06 110.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mp -123.41 -56.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.02 179.93 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.44 -27.84 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -46.38 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.34 40.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.32 -33.46 16.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -22.72 61.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.5 t -67.47 -20.72 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.35 6.97 22.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -114.98 -21.11 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -116.7 -25.76 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -10.64 29.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -175.94 80.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -118.26 -29.97 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -86.77 138.46 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.46 159.28 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 139.52 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -119.7 119.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.4 t -82.56 -27.04 31.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.67 73.61 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.46 143.28 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 170.39 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 t -69.01 -13.66 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -93.03 -27.98 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -27.32 67.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -79.3 -20.74 47.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.48 -17.15 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.05 -3.61 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 p -105.94 -26.07 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.6 t -84.38 -42.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.1 -26.89 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -95.12 -23.1 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.42 0.91 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 m -105.63 -32.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.96 -75.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -37.48 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.3 m -69.55 -29.67 67.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 16.9 mt -124.22 61.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -126.88 36.45 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.8 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.629 2.22 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -152.72 61.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -13.48 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.96 -17.53 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.61 -36.16 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.54 -32.07 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -17.23 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.48 -23.19 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptp -100.94 -25.68 14.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.56 -40.35 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.84 112.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.54 138.01 35.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -31.07 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.33 66.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.41 -31.0 60.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -52.71 -34.48 52.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -28.42 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.62 39.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.47 -174.06 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.83 109.11 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.08 75.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -56.84 141.52 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.65 160.64 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -168.28 171.58 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -118.25 -171.49 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -11.2 60.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.43 -5.36 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.12 31.24 29.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -124.25 135.11 53.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.77 82.68 5.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -129.39 166.39 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -77.23 60.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.86 156.07 20.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -28.9 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.34 127.01 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mtp -124.34 109.3 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -79.83 125.13 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.52 97.0 10.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.09 142.21 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -80.92 -5.98 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -110.29 154.54 42.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.97 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.11 22.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.236 . . . . 0.0 112.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -48.07 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.23 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.847 0.356 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -56.17 136.97 52.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.82 -31.15 16.16 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 36.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -160.9 138.36 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -169.88 126.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.71 46.14 54.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -90.04 -33.86 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.47 -68.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -167.28 172.67 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.86 163.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.0 m95 61.51 17.8 8.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -138.76 -39.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.68 -30.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.7 -51.44 49.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.68 33.07 7.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -146.01 162.3 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -142.51 -176.46 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -135.13 106.26 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.96 120.14 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 147.94 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.4 mm -104.64 138.23 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -160.99 77.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -120.7 -77.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 177.93 146.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.7 -56.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.69 173.54 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.38 -47.99 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -78.87 -31.6 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.53 39.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.9 -52.82 13.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -15.83 59.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.99 -20.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.04 3.88 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -119.96 -23.54 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.11 -44.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -42.31 64.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.85 89.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -113.43 -2.49 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.9 138.9 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -146.5 144.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 141.84 56.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.29 109.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -179.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.35 -25.47 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.53 58.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.94 171.73 9.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -124.12 156.31 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.26 -18.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -90.87 -28.62 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.07 -35.02 74.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.26 -21.68 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.08 -18.22 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 9.11 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -122.27 -28.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.52 -40.46 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.98 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.51 -63.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.16 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 56.8 t -54.45 -25.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.03 -68.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -25.26 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.7 m -77.57 -32.51 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.2 mp -109.86 56.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.708 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -126.74 36.77 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.74 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.38 67.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -24.56 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -55.91 -23.79 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.3 mt -92.97 -45.88 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.25 -36.79 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -24.94 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -22.44 58.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.2 mtm -99.09 -27.45 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.27 -33.76 2.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.91 110.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.09 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.91 135.0 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -25.17 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -21.76 53.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.84 -31.34 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -54.65 -34.7 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.39 -23.82 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -119.83 39.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.1 -174.6 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -115.58 101.51 8.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -91.83 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -90.38 122.3 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.76 165.7 16.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -167.4 169.19 12.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.6 -168.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -76.36 -11.05 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.25 4.16 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.24 32.92 59.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -132.71 160.42 36.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.41 85.6 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.93 169.38 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -118.05 60.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.11 -167.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -32.12 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -131.5 178.36 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.13 146.64 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -114.17 133.78 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.5 p -113.19 101.6 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.21 146.68 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.84 -10.39 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.11 155.02 43.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.82 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -171.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.24 -84.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.28 80.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.02 168.48 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -149.87 -171.32 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.47 100.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -17.35 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -167.48 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.8 176.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.15 163.16 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 m95 61.23 17.84 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -142.22 -37.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.09 -34.27 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -50.2 -43.79 52.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.98 36.59 12.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -154.22 164.98 37.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.95 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -138.62 -177.11 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -134.18 108.19 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.64 117.73 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -94.66 157.16 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.42 136.76 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -161.43 80.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -120.1 -76.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.5 135.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.04 -56.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.62 -174.0 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 -31.93 4.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -110.92 -34.74 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.0 39.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.46 -49.47 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -23.3 22.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.45 -23.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.23 -8.82 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.89 -30.18 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -12.64 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.0 p 179.87 85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -22.97 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.06 142.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -141.75 163.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 141.91 44.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 p -134.13 118.26 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -179.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -0.18 50.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.92 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.7 161.68 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.71 156.68 24.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -62.23 -17.12 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -89.82 -23.93 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -29.55 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.54 -16.2 57.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.84 -3.43 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 2.83 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.35 -26.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.55 -2.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.99 -22.1 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.45 -49.94 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.11 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.39 -48.73 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.8 t -47.94 -43.02 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -51.63 -50.23 60.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.1 p -87.51 0.51 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.414 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 3.9 mm? -122.9 29.93 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.84 36.23 0.33 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 -49.12 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -148.4 62.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 p -70.09 -10.63 59.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -66.14 -13.39 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.65 -23.31 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.86 -25.36 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -17.89 64.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.47 -6.51 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mtm -95.39 -26.17 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.01 16.9 4.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.9 mt -129.79 108.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 129.69 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.21 -30.87 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -23.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.16 -30.63 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -52.11 -42.59 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 m -68.58 -35.19 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.18 38.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.44 166.97 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 t -96.34 134.6 39.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.37 100.06 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.32 144.15 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.11 130.59 52.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.23 168.89 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.79 -166.89 1.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.92 -1.67 40.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -116.07 -26.69 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.3 28.97 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 156.92 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.55 81.4 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -119.46 169.58 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -120.1 48.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -169.74 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -51.79 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -93.45 140.27 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.8 ttp -145.23 110.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -79.1 138.88 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.84 104.73 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -108.76 143.55 37.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -82.95 -36.77 24.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -71.53 154.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.738 0.78 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.56 24.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.77 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -76.52 143.38 40.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.99 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.65 170.64 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -174.43 134.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.84 66.57 2.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -105.95 -60.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.97 -64.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -169.83 173.6 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.55 162.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.9 m95 61.81 17.5 8.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -136.82 -39.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.71 -32.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.12 -38.2 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.47 34.34 45.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -153.77 163.34 40.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 -175.42 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -145.15 107.42 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -115.84 152.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.56 156.72 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.65 130.08 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -160.72 70.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -120.12 -76.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.46 137.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -146.81 -54.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.05 164.1 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.02 -22.78 12.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -24.41 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.01 55.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.44 -48.26 7.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -21.02 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.87 -21.93 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.85 6.1 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -21.24 9.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -118.96 -26.94 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.45 -20.02 22.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.86 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -16.09 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.69 142.12 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.01 139.95 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.7 m -116.22 130.13 56.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.96 163.18 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 -169.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -24.49 38.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.12 87.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.08 145.52 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.21 168.36 9.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -69.32 -14.45 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -91.94 -26.52 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.12 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -70.68 -21.84 62.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.24 -6.87 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.3 5.57 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 p -120.29 -9.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 t -115.82 -3.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.71 -20.71 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -102.8 -40.57 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.5 83.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.0 m -54.14 -42.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.35 -47.92 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -51.23 -34.93 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -89.7 -21.62 22.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.415 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -104.89 49.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.724 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.1 mm-40 -127.01 35.95 0.31 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.724 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.76 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.623 2.215 . . . . 0.0 112.398 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -157.05 62.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -13.79 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.25 -17.22 57.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pp -96.61 -36.24 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.18 -33.09 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -18.37 62.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -76.48 -23.84 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.2 ptp -100.73 -25.93 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.64 -33.86 2.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.74 106.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.6 130.37 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.01 -31.19 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -14.06 61.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.92 -30.12 21.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -50.04 -51.32 43.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -44.12 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -97.2 35.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.86 -176.64 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.1 m -111.84 89.03 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.63 120.66 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -99.62 161.97 13.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.67 147.32 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.52 -178.77 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.44 179.34 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -71.98 -17.34 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.36 -1.58 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.63 35.26 11.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -127.56 145.79 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.96 75.28 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.07 174.85 6.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -119.37 56.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -79.74 -168.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -31.96 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -124.46 139.35 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.5 ttp -140.3 111.52 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -79.74 123.41 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.6 t -90.4 101.34 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.85 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -95.87 18.46 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.4 p90 -135.66 155.06 78.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.716 0.77 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.4 Cg_endo -69.81 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.44 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -57.16 151.33 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.88 -45.94 31.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.86 55.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -161.98 145.3 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -172.27 126.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.62 46.3 38.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.38 -34.93 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.63 -68.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -176.86 142.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.67 158.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.0 m95 63.72 12.27 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -152.46 11.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -157.58 -34.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -23.34 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.54 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -158.02 164.85 36.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -141.89 -179.97 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -131.55 125.73 33.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -126.16 144.67 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 155.03 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.3 mm -116.23 136.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -159.54 67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -120.75 -77.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.24 150.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.47 -54.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -140.5 176.31 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.98 -46.71 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -26.79 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.43 39.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.56 -58.43 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -20.81 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.87 -20.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.99 9.1 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -120.5 -25.13 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.58 -23.17 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -100.99 -6.16 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.28 84.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -125.76 -36.62 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.42 135.61 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -142.42 149.76 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.2 147.82 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.07 113.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 169.9 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -77.88 -6.83 55.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.21 -19.82 7.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 140.25 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.51 169.23 9.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -69.0 -12.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -94.68 -27.48 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.03 -37.73 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.38 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.7 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.27 12.62 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.23 -31.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -94.26 -4.16 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.04 0.21 16.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -36.44 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.95 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -64.53 -32.52 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.21 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -30.2 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.0 m -74.67 -24.31 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.5 mp -120.93 54.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.72 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.3 mt-30 -127.05 36.67 0.35 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.54 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -8.23 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.61 -14.57 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 pp -100.31 -24.68 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.54 -28.68 56.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -22.89 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -99.53 -20.34 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.62 -26.66 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.43 17.28 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.7 mt -129.19 112.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.96 135.23 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 -34.02 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -23.57 65.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.02 -30.25 49.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.64 -27.26 38.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -25.64 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.97 40.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.09 -179.94 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 m -104.34 101.7 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -95.15 127.87 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.16 171.67 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mp -141.53 166.47 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -161.74 179.32 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.67 177.83 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.03 -14.18 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.82 5.53 45.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.94 30.67 67.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -131.32 155.23 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.66 86.84 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.51 172.37 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -117.08 54.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.9 -165.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.71 -54.75 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -126.01 157.25 38.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.4 ptm -147.1 135.24 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -79.82 138.2 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 39.6 t -103.98 100.89 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.79 148.99 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.79 -1.63 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.414 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.1 p90 -113.27 155.03 45.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.744 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.75 167.83 23.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.14 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.81 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm 41.61 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.35 87.62 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t 55.78 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 m -161.0 150.16 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -162.21 145.97 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.4 58.36 13.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -112.06 -56.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -131.87 -67.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -175.42 175.15 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.4 164.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.3 m95 61.84 17.36 8.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -138.37 -37.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.85 -35.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -49.85 -44.83 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.78 36.78 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -151.53 166.88 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 -176.11 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -137.25 104.4 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -112.44 151.57 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.3 158.07 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.7 mm -118.48 127.82 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -120.29 -76.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.0 129.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.44 -57.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -130.8 173.01 11.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.64 -47.71 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -76.54 -18.47 58.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.09 43.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.95 -58.33 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -12.99 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.81 -16.7 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.64 2.43 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -25.83 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -113.13 -45.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.71 -48.76 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.92 83.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.16 -0.21 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.86 142.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -149.12 159.18 44.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.5 136.1 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.88 120.35 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -172.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.2 t -82.85 -37.03 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.1 84.5 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.09 164.9 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.08 155.58 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.46 -17.68 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -90.24 -22.61 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.9 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -85.84 -14.6 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.56 -13.3 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.26 -5.45 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.52 -26.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.01 -15.02 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.08 0.29 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.07 -33.92 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.17 0.64 40.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.72 -35.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.75 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -55.65 -24.78 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.7 m -83.79 -24.98 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 1.7 mm? -113.92 50.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.733 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -127.08 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.966 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.71 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -154.36 66.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -70.92 -10.51 59.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -67.74 -12.98 61.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -108.91 -6.62 15.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 76' ' ' MET . 16.4 mt -96.93 -21.02 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.83 0.26 40.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 0.72 17.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.405 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 7.6 ptp -116.79 -26.21 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.25 1.4 5.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -105.43 104.88 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.63 135.28 36.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -34.1 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -22.23 65.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -79.07 -30.53 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -51.82 -40.46 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 p -71.36 -34.54 70.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.77 39.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.38 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -95.41 109.32 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.54 125.55 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -116.65 153.51 32.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.7 142.87 46.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.49 -178.87 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.51 -168.56 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -15.98 55.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.62 2.26 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.1 30.1 51.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -129.1 161.1 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 84.21 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.2 164.3 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -120.01 58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.88 -169.73 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -34.44 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -122.19 148.5 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mtt -140.61 140.27 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -105.08 115.11 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.5 t -85.76 98.54 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.85 153.49 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.65 37.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.415 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.7 p90 -159.49 155.02 22.42 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.716 0.77 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.81 167.65 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.88 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.904 0.383 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 145.72 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.56 -99.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.89 24.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 m -72.8 157.75 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.65 133.11 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 62.04 3.86 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.94 -47.88 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.68 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -167.92 171.08 10.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.01 163.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.6 m95 61.62 17.91 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -138.27 -39.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.16 -30.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.4 -41.12 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.6 31.99 43.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -151.08 158.01 43.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.927 0.394 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -132.86 166.38 22.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -127.44 108.47 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -108.04 146.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.18 164.2 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.06 146.62 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -154.16 34.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.13 -73.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 176.61 169.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.66 -177.29 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -118.44 -34.77 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -23.29 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 m -129.4 40.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -71.17 -51.45 24.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -15.47 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.87 -16.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.18 -2.28 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.83 -26.37 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.79 -32.35 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -23.74 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -177.13 86.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -17.24 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.39 142.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -151.27 135.47 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.47 151.5 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 p -151.66 111.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 176.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 t -81.01 -20.3 42.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.45 72.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.78 169.24 17.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 156.4 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.84 -16.39 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -91.07 -23.5 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -31.06 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.61 -18.73 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.77 -20.17 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 8.7 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.02 -31.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.56 -17.28 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.36 -19.79 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.11 -27.81 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.3 0.33 42.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.7 m -103.45 -35.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.01 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -36.93 63.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.3 m -71.53 -24.01 61.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 7.3 mp -119.28 61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.1 mm-40 -126.76 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.65 65.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -27.3 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.94 -23.84 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.7 mt -91.54 -48.42 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.22 -44.34 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -55.25 -25.56 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -19.19 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtm -94.28 23.26 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.18 36.51 63.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.3 mt -142.56 113.01 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.81 142.67 33.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 -31.7 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -22.49 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.16 -30.91 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -56.75 -32.92 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -80.2 -19.38 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.56 39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.53 -178.09 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -117.41 102.81 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.15 104.44 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -90.11 123.72 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.32 103.65 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.59 -177.63 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.06 -173.21 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.74 -15.77 58.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.89 0.02 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.73 34.14 28.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -128.12 165.21 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.03 61.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.85 -175.84 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -114.62 62.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 t -77.27 -165.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -46.01 -45.89 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.85 178.19 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -147.75 156.62 42.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.62 120.4 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 104.72 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.07 115.91 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -64.61 -15.3 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.418 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.8 p90 -107.97 155.06 40.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.9 Cg_endo -69.74 167.56 24.07 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -55.69 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.13 3.98 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.75 -75.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.24 161.94 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.61 145.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -153.45 129.03 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.64 53.3 2.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -96.94 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -70.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -175.79 176.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.65 161.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.9 m95 61.9 17.32 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.94 -51.26 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.2 -24.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.11 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.9 40.59 63.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -153.81 170.74 20.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -150.41 -177.2 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -128.07 119.68 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.71 127.18 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.04 155.22 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.9 mm -128.52 122.14 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -161.37 86.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -120.97 -79.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.5 123.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mp -133.61 -56.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -175.99 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.16 -41.63 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.94 -35.02 11.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.37 51.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.77 -36.71 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -23.02 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.7 -23.16 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.43 9.22 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -120.66 -30.5 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.17 -21.05 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -6.31 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -179.3 84.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 -37.88 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.74 135.3 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.44 156.0 45.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.1 134.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.03 -175.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 0.08 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.38 71.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.39 156.86 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 155.17 25.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -62.46 -16.71 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -91.24 -24.36 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.36 -23.26 61.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -19.8 62.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.72 13.22 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.15 -41.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 t -79.98 -22.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.11 74.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.25 -37.79 9.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.18 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.8 -28.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.7 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -57.93 -21.13 42.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -92.47 -22.52 19.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 11.1 tp -116.76 63.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 5.4 mm-40 -126.97 36.33 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -159.03 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -11.2 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.82 -13.71 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.79 -14.73 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.63 -22.97 20.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -10.26 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -93.53 -12.51 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 ptp -106.47 -19.98 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.46 -26.98 5.1 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.16 106.73 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.69 131.62 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -90.29 -31.82 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -22.27 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.57 -30.82 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -54.13 -34.81 61.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -27.98 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -114.38 39.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.37 -169.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -123.51 97.84 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -95.59 108.93 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -90.42 134.3 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.96 152.07 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -153.5 174.31 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.95 -178.89 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.81 -12.64 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.17 47.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.02 30.64 65.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -128.84 158.09 39.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.44 86.04 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.26 166.4 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -115.85 60.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.27 -167.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.6 -29.76 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -150.62 134.0 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -127.25 132.52 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -79.92 148.2 31.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.3 p -116.54 98.29 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.76 150.19 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -57.22 4.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -52.39 154.88 4.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.69 0.757 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.24 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.43 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.91 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.887 0.375 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -5.18 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.74 -53.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.86 161.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m 65.5 149.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -163.49 137.81 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.9 59.6 6.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -112.24 -34.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.66 -65.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -175.7 174.94 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.08 164.23 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.4 m95 63.11 16.46 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -137.24 -41.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.85 -36.95 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.75 -30.31 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.38 78.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -154.77 174.79 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -149.19 -176.09 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -140.55 92.95 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -105.55 137.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.08 152.76 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 mm -113.65 136.72 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 100.0 m -161.76 82.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -120.09 -81.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.54 138.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -137.64 -58.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -132.35 152.33 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.57 -20.53 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 -22.2 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -115.87 60.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.22 -29.7 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -13.56 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.31 -23.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.41 7.95 23.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -110.1 -33.89 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.79 -43.33 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -13.97 61.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.7 94.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 p -139.76 -41.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.83 132.14 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -141.25 149.59 41.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 152.43 21.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.98 133.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.08 -175.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -0.04 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.85 72.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.54 155.42 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.92 156.88 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 t -61.86 -17.21 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -89.87 -23.5 21.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -31.71 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.42 -18.12 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.46 -6.79 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 -16.36 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.74 -21.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.8 t -86.28 -23.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.37 -14.23 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.83 0.33 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.14 -51.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.7 -45.43 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.7 -42.37 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.95 -50.16 74.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -44.09 82.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 7.9 mp -82.88 54.36 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.732 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mm100 -126.67 36.34 0.33 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.79 -49.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -158.98 67.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -18.03 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -22.59 54.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.75 -38.1 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.99 -38.08 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -23.25 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -77.73 -29.87 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 ptp -89.53 -27.29 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.72 -42.7 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 88.5 mt -55.58 130.04 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.42 120.07 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -12.15 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -22.01 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.85 -26.22 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -56.65 -36.98 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -75.34 -28.55 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.54 39.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.56 -179.72 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 96.42 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.41 143.71 26.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -129.42 170.28 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.72 167.97 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -164.07 -178.23 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.67 -178.94 6.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.15 -11.19 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.63 5.35 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.65 62.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -129.55 155.23 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -90.52 70.52 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -114.24 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -120.12 59.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.67 -169.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 m -51.94 -29.15 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -148.52 133.65 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.01 131.51 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -79.82 132.97 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.8 t -101.46 103.34 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.19 169.9 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -107.76 0.63 22.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.424 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.0 p90 -113.16 155.18 44.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.34 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.75 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -64.79 -10.94 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -82.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.41 59.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 m -162.26 145.96 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -174.89 126.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.47 34.35 19.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -82.32 -49.93 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.0 -68.26 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -176.13 178.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.81 162.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.4 m95 61.76 18.09 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.36 -40.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -125.53 -31.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -49.92 -47.25 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.45 35.91 10.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -153.12 164.52 37.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.917 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -175.68 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.05 107.43 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.91 130.26 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 153.01 24.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.56 135.03 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.48 79.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -120.65 -79.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.45 145.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.31 -55.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.01 -179.73 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.76 -44.17 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -89.83 -31.37 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 m -117.98 49.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.19 -44.01 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -22.09 63.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -17.99 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.7 3.8 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.16 -6.27 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.89 -37.49 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 23.43 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 48.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 p -109.1 -33.77 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.15 137.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -142.07 161.56 37.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.16 155.8 20.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -151.27 127.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.05 -24.8 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.8 83.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.99 166.63 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.42 156.28 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.07 -17.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.5 t -90.41 -24.78 20.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -75.62 -18.87 59.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.18 -3.88 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.23 -7.7 11.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -104.53 -23.34 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.95 -21.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.42 -28.79 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.65 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.89 1.57 53.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -110.13 -19.73 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 46.7 t -74.73 1.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.65 -18.71 13.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.7 -24.91 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.427 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 3.5 mm? -107.09 34.28 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.721 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -125.61 37.11 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -148.34 70.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -55.53 -29.8 59.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -17.07 58.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -101.55 -36.12 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.96 -40.2 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 m -53.99 -33.89 58.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.49 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -93.73 17.91 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.56 33.7 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -137.68 111.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.33 129.73 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -82.91 -27.0 30.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -23.26 45.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.14 -30.18 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -58.82 -25.74 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -87.38 -24.47 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -116.17 39.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.5 179.52 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -105.34 96.79 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.97 109.77 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -91.92 161.61 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -140.25 136.37 33.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.2 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 -167.29 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.27 0.16 38.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.12 1.13 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.4 32.92 18.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -121.23 148.53 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.96 74.94 7.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -122.54 -177.23 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -118.94 60.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.6 p -79.83 175.17 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -39.06 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -126.24 116.79 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.17 129.24 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -79.74 128.94 34.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.3 t -99.66 104.66 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.75 167.43 9.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -42.64 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -66.95 154.39 92.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.713 0.768 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.81 23.27 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.08 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.33 -78.94 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.55 86.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.3 147.39 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -174.52 130.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.16 59.07 8.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.73 -37.84 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -170.95 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -165.62 174.16 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.26 163.46 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 m95 61.42 17.9 8.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -138.87 -39.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.28 -30.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.71 -45.67 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.47 35.62 11.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -153.74 161.23 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.51 -176.04 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -135.86 105.49 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 p -112.58 133.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -100.41 166.78 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mt -143.51 141.74 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 t -178.99 93.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -121.83 -74.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.5 114.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.11 -58.19 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.83 -179.29 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 -33.21 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -103.37 -34.95 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.67 40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -87.99 -34.02 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -18.54 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.85 -21.03 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -120.79 7.59 10.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -13.06 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.96 -57.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.85 16.43 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.55 57.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -31.04 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.15 143.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.67 168.97 18.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 144.1 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -141.16 122.07 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -91.32 -0.0 57.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.77 69.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.15 148.35 49.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.137 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.04 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.11 -15.15 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -91.09 -26.94 18.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -34.51 78.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -69.02 -23.51 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.59 -6.81 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.13 -14.05 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.78 -22.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.7 t -94.72 -16.25 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.68 0.2 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -112.42 -33.39 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.79 -42.92 26.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.27 -43.23 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.06 -47.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -50.95 -57.02 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -28.43 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -98.39 47.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.728 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.6 mm100 -126.82 36.44 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.74 -49.63 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -154.87 65.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -25.13 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -57.97 -22.69 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -87.86 -46.71 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -51.82 -46.03 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -30.28 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -20.27 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.1 mtm -94.01 19.59 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.68 37.53 84.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.0 mt -142.97 110.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 129.34 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -89.69 -31.8 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -22.14 61.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.51 -30.75 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -50.24 -52.6 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -43.44 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -97.63 35.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.51 -173.81 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -110.71 100.92 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.57 126.37 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -109.27 137.9 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -99.23 147.84 24.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -156.25 -178.71 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -146.59 -175.31 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.45 -6.41 46.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.2 4.24 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.12 34.61 86.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.28 157.83 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.18 80.59 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.47 -179.72 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -114.67 59.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.31 -168.73 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.61 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.49 133.59 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.2 ttp -128.89 106.92 9.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.44 161.23 26.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.6 94.63 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 145.52 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -86.22 -2.66 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -112.98 154.93 44.85 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.735 0.778 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -49.52 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.896 0.379 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 92.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t 52.99 91.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m -162.67 153.11 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -163.0 127.56 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.88 72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -110.0 -27.59 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -171.42 -63.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -175.93 179.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.38 163.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.1 m95 61.47 17.45 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.73 -37.38 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.53 -34.71 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.94 -42.55 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.8 17.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -156.09 177.64 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 0.0 110.948 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -175.97 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -145.07 107.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.59 141.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -127.09 149.04 50.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -105.91 127.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -161.38 81.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -121.11 -76.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -176.67 137.32 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.67 -56.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.95 171.76 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.37 -28.37 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 -41.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.76 39.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -83.5 -45.74 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -24.01 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.17 -18.22 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.6 8.28 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -117.73 -20.8 8.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.32 -33.32 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -34.79 77.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 86.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 -18.04 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.35 142.01 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 168.83 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.28 135.18 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.88 121.44 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 t -86.63 -0.01 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.65 67.23 0.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.87 170.06 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.3 t -67.73 -13.85 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -92.88 -28.41 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.24 -34.99 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -68.98 -27.35 65.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.29 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -17.22 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.33 -17.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.4 t -89.19 -24.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.28 -17.68 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -101.24 0.52 37.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.01 1.15 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.63 -39.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.26 -67.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -27.8 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -77.83 -33.93 52.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 8.7 mp -110.81 65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.703 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.9 mm-40 -126.75 36.84 0.35 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.3 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -152.49 67.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -22.2 59.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.09 -23.49 47.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.86 -46.46 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.5 -33.81 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.9 m -63.13 -20.54 65.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -103.99 -15.84 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.6 mtm -91.62 16.09 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.04 -12.9 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.09 83.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 5.0 t0 -85.74 98.66 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -34.24 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -28.49 23.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASP . 6.2 pt-20 -89.56 -30.78 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -52.69 -40.51 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -42.18 75.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -99.94 35.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.61 -176.36 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 98.52 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.53 94.99 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -79.4 122.98 27.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.51 142.5 34.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -150.13 -178.38 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -140.48 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.05 -2.03 53.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.01 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -130.68 141.69 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.08 76.27 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -124.3 -177.09 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.37 60.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -79.19 -165.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -134.72 -174.44 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.1 mtm -163.3 147.76 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -114.14 141.65 47.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.7 p -109.81 100.72 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.89 139.05 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -71.14 -10.33 59.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -112.34 154.92 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.665 0.745 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.3 Cg_endo -69.72 167.59 23.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.46 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.83 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.903 0.382 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -161.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.93 -85.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.84 93.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.74 173.4 12.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -149.93 -173.43 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.59 101.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -117.68 -28.05 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.87 -56.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t 179.3 159.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.69 162.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m95 62.18 17.06 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.37 -50.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.47 -26.02 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -62.21 -30.08 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.44 38.65 69.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -154.7 177.91 10.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.984 0.421 . . . . 0.0 110.928 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.82 -175.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -131.83 125.77 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -134.33 122.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 138.71 42.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mm -106.49 125.39 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -152.95 76.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -120.37 -76.83 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 143.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -150.83 -55.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.84 -179.19 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.1 -33.2 3.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -103.87 -18.89 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.42 49.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -52.52 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.73 -14.45 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.25 1.74 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -13.78 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.48 -32.72 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p 179.67 88.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -7.1 15.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 p -93.06 142.72 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -143.22 159.71 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.75 138.0 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.69 121.95 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.05 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -75.51 -39.16 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.03 82.61 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.15 164.64 22.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.77 155.68 20.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.42 -16.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -90.23 -20.99 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.37 71.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.02 -16.75 60.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.94 48.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.97 -15.37 13.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -105.48 -29.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.39 -21.59 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.81 59.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.4 -45.37 62.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -55.66 -24.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.2 t -84.74 -61.59 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -20.11 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -92.87 0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -133.72 55.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.716 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 8.6 mt-30 -125.57 37.06 0.35 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.635 0.731 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.753 2.302 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -153.78 59.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -69.32 -10.93 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -65.1 -15.26 62.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 pp -101.56 -37.81 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.39 -33.87 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -17.11 60.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -20.36 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.57 -26.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.92 -33.83 2.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 124.35 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.06 141.42 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -35.33 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -15.97 60.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -89.88 -30.14 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -50.56 -43.98 56.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -44.6 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.48 35.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.26 179.58 4.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -100.66 91.02 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.15 115.01 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -99.42 121.86 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.02 148.81 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -151.99 166.64 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -168.39 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.83 -0.23 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.85 4.01 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.7 39.75 33.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -141.76 159.93 41.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.88 84.92 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.71 168.51 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.71 56.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -79.05 -168.25 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -49.34 -31.06 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -134.07 159.68 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mtm -146.0 120.32 9.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -79.75 126.88 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 103.8 13.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.76 158.87 16.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -87.71 -6.45 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.405 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.76 155.01 43.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.706 0.765 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.71 167.53 24.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.375 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -55.6 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.876 0.37 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.02 -156.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.66 -21.27 6.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -146.48 21.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.07 137.4 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -157.54 128.0 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.72 54.72 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -107.97 -43.34 4.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.0 -66.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -175.74 174.26 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.31 164.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m95 61.87 17.38 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.83 -37.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 -35.06 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.65 -43.76 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.48 36.67 16.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -149.23 162.88 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -178.62 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -131.02 126.85 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.39 133.76 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 158.09 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -125.22 129.04 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.33 80.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -120.2 -76.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.12 105.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.88 -57.59 2.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.45 -179.31 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -27.21 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.01 -40.48 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.32 48.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.58 -40.23 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -20.69 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 t -65.11 -14.46 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 -1.34 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.82 -19.52 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -113.95 -30.35 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -79.06 -28.12 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.94 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.89 141.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -146.04 161.15 40.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 147.94 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -141.74 108.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 178.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -87.1 0.12 55.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.69 -15.06 6.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.31 144.43 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 111.112 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.29 168.57 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.08 -14.74 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -91.5 -26.67 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.79 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -69.93 -22.9 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.8 -2.66 37.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -1.94 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.13 -21.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.12 -45.98 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.79 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.07 -53.05 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.87 -33.18 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.4 m -66.4 -39.15 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.2 t -50.9 -69.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -49.88 56.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -54.42 -32.12 56.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 10.9 mt -115.71 61.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -127.26 36.08 0.32 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -156.0 66.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -73.79 -7.52 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.88 -18.99 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pp -96.18 -38.64 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mp -53.15 -42.6 66.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -20.66 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -30.17 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.4 ptp -91.36 -13.2 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.36 -46.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.04 125.35 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -128.35 106.45 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -31.08 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -25.19 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -88.52 -31.9 18.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -53.87 -29.57 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -25.84 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.53 39.63 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.81 178.51 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -104.38 116.08 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.7 125.73 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -111.24 -174.47 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -151.21 156.01 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -158.08 174.12 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -166.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.89 0.4 55.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.99 -25.74 8.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.69 30.1 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.79 144.61 50.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.49 79.02 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -122.11 -169.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -117.81 54.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -79.91 179.58 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -44.52 62.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 126.31 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 31.6 ttm -125.58 129.88 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -107.99 117.47 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.8 t -80.95 93.9 6.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.4 p -90.17 137.31 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -85.41 -4.34 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.401 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.6 p90 -113.99 154.99 45.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.71 167.49 24.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.913 0.387 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -172.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.45 96.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t 51.37 88.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.51 157.98 33.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -174.77 134.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.73 63.23 4.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -102.35 -38.93 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.0 -61.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -179.34 133.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 14' ' ' TRP . 1.6 p -51.18 156.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 4.9 m95 67.61 10.51 7.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.98 -37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -120.19 -27.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.16 -35.85 38.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.42 35.8 19.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -157.87 163.99 37.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.93 -174.73 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -144.17 115.24 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -128.99 137.78 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 163.96 12.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.7 132.54 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -161.84 86.59 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -120.36 -76.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -179.68 124.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.24 -55.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -134.37 172.29 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.62 -27.92 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -99.21 -24.5 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 m -132.53 46.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.98 -50.09 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -16.29 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -63.36 -21.47 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.87 5.99 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.17 -15.1 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.48 -32.54 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -89.62 -10.12 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 p 179.41 84.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.31 -22.44 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.1 138.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.61 137.8 42.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 126.39 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -112.36 110.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 176.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.54 87.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.86 150.54 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.03 157.28 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.66 -16.33 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -92.07 -23.44 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -35.47 80.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -71.16 -24.69 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.6 -23.06 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 12.39 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 -31.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -94.01 -5.44 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.88 -23.1 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.41 -30.79 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.06 0.33 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.4 m -105.8 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.01 -65.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -51.6 -37.71 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 m -70.03 -31.41 69.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -109.54 49.84 0.81 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mt-30 -127.04 36.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.732 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.4 Cg_endo -69.83 -48.54 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.289 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.56 60.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -66.4 -13.62 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.59 -17.77 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 pp -95.91 -36.01 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.26 -32.01 71.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -18.18 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -74.33 -24.33 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.3 -24.63 13.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.76 -34.38 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.78 109.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 132.92 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.94 -33.15 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -21.7 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.65 -30.61 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -53.01 -39.97 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -31.55 66.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.0 m -111.28 39.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.38 -174.56 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -110.61 100.91 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -97.97 110.06 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -94.81 135.41 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.26 139.18 32.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -148.53 -178.49 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.54 -174.87 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -73.26 -6.42 45.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.1 1.52 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.79 29.75 69.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -133.09 157.48 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -90.72 77.69 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.62 -176.21 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -120.14 60.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -79.42 -174.92 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -29.32 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 129.37 36.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptm -129.07 125.43 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -82.59 163.68 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.4 p -120.13 92.07 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.99 139.28 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -78.9 -36.44 42.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.43 154.46 93.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.761 . . . . 0.0 110.906 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.55 24.09 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -55.68 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.49 -56.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -86.46 143.32 27.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.91 -89.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.24 27.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.84 167.22 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -174.39 133.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.78 77.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -109.86 -56.25 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.84 -46.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.4 t -169.91 164.28 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 t -89.84 163.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.0 m95 62.91 16.6 9.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.21 -41.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.42 -35.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.87 -29.87 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.62 39.91 86.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -153.73 173.81 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.46 -175.53 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -142.84 107.71 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -118.86 153.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 156.58 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.3 mm -111.34 140.33 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -160.88 64.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -120.73 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -179.08 159.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.0 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.42 -174.42 3.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.34 -33.41 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -31.88 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.85 39.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.81 -48.4 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -13.84 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -71.25 -20.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.5 3.62 10.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.57 -24.12 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -120.1 -32.27 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -28.85 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.98 86.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.16 -10.5 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -88.58 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -144.23 150.48 38.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.65 142.62 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.87 113.24 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 174.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.95 0.03 57.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.55 63.31 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 t -122.87 -171.69 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.163 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.06 158.72 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 21.1 t -59.23 -20.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -84.34 -25.82 28.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.88 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 51' ' ' VAL . 13.6 m-85 -69.49 -18.4 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.07 -6.0 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -11.6 13.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -105.9 -27.92 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.08 -7.87 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.92 0.02 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -118.27 -8.38 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.61 2.11 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.01 -19.38 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.41 1.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -7.02 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -121.11 -10.5 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 4.0 mm? -107.49 15.74 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.39 36.81 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.74 -25.22 28.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -153.89 53.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 m -58.62 -17.75 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -57.32 -20.76 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -103.18 -36.73 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.67 -38.55 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -69.14 -16.95 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 ptp -86.16 -28.46 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -23.2 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.7 mt -80.01 111.4 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.9 t0 -111.82 101.7 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -30.79 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -28.38 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' ASP . 7.8 pt-20 -88.37 -33.05 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -51.67 -42.54 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -40.8 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.62 34.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.0 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -113.66 100.25 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -88.35 125.54 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -110.17 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.49 163.45 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -162.47 164.76 26.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.92 -175.21 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -11.12 60.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.28 4.47 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.44 33.88 63.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -133.58 158.95 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.81 86.25 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -128.04 169.79 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -120.01 59.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -168.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -44.55 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -110.3 148.3 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.7 mtt -132.42 147.09 52.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -119.51 133.01 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.85 102.29 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -100.24 118.14 35.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -65.19 -16.51 63.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -105.8 154.9 39.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 167.77 23.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.04 2.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.97 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.92 0.39 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -57.21 133.11 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.11 38.88 8.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 t 44.65 36.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -84.21 157.29 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -158.38 131.18 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -110.21 -54.32 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -164.41 -64.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -164.72 170.35 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.11 163.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.9 m95 61.69 17.72 8.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.62 -39.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.02 -31.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -50.77 -45.53 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.1 35.67 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -147.31 176.64 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.418 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.65 -176.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -140.39 114.16 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -129.32 152.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 155.43 43.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.81 131.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -161.41 82.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -120.34 -75.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 178.97 131.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -55.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.69 177.96 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 -16.86 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -120.83 3.12 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 3.1 p -162.33 38.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -39.54 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -16.13 63.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.08 -12.62 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.68 3.68 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -120.5 -18.22 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.45 -28.79 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 -7.59 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p 179.77 85.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p -116.27 -18.05 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.26 139.9 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -139.38 153.77 47.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -99.95 136.5 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -116.66 121.08 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -54.32 176.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -26.45 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.832 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.13 83.81 0.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.1 156.02 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.113 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 152.27 32.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.05 -17.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -93.28 -17.88 23.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -35.2 77.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -72.98 -21.85 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.27 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 12.49 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.24 -31.81 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.15 -4.22 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.81 -6.87 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -112.9 -49.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -41.28 69.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.81 -45.31 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -55.16 -42.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -48.92 -68.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -20.51 55.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 10.5 mp -109.3 51.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.1 mm-40 -126.95 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.76 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -158.1 70.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -5.7 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -73.06 -14.56 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 pp -99.92 -38.47 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 76' ' ' MET . 8.3 mp -57.23 -42.87 82.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -59.74 -21.35 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -79.24 -32.29 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 5.7 ptp -87.88 -22.58 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 -42.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.13 118.92 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.37 135.7 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -33.9 15.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -20.0 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -83.33 -30.66 27.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -51.61 -43.19 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -35.87 78.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.2 m -106.31 38.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 -176.0 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -113.97 98.18 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -90.43 118.33 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -102.09 125.43 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.9 90.1 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.99 -179.63 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -167.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.69 0.1 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.42 -3.55 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.81 35.61 8.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.35 156.73 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.86 69.57 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -119.98 131.4 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' CG ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.11 57.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -77.95 -169.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -50.57 -31.61 16.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -133.22 130.54 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -132.84 116.5 16.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -79.75 136.69 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 89.0 6.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.31 127.53 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -72.24 -10.3 59.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.407 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.9 p90 -113.04 154.94 44.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.685 0.755 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.77 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.399 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.79 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.71 95.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t 53.8 91.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.22 163.66 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -174.55 145.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 74.59 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -113.56 -43.08 3.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.7 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 t -164.58 160.49 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.1 162.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.6 m95 62.39 17.12 9.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.95 -46.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.89 -27.93 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.32 40.43 55.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -155.0 170.94 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.969 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.14 163.6 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -117.15 128.16 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.58 125.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.44 161.81 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mm -121.27 139.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.6 m -161.35 75.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -121.27 -78.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.99 156.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.12 -54.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -138.7 -178.64 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.23 -42.78 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -77.44 -21.87 52.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.12 45.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.6 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.81 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.92 -14.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -1.37 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.13 -15.36 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -115.15 -30.91 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -86.55 -16.27 37.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 p -176.59 84.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -113.1 -13.35 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -90.12 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 144.42 42.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 p -132.61 115.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 149.47 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -25.39 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 73.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.75 165.42 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.701 0.286 . . . . 0.0 111.153 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.43 153.09 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -61.73 -18.22 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -90.66 -22.83 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -32.45 74.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.27 -19.77 56.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.43 -17.76 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 16.06 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.13 -32.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.36 -19.87 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.08 -25.2 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.13 -41.79 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.0 96.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.61 -38.94 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.07 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.16 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -77.7 -36.18 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 13.3 mt -107.05 60.9 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.736 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mm100 -127.17 35.7 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.69 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -155.98 74.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -60.59 -18.7 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -57.53 -19.92 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.51 -55.13 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -40.58 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -70.9 -24.94 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -75.46 -29.77 59.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.5 mtm -89.41 -30.19 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.2 -36.16 1.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.89 108.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 131.76 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.87 -30.42 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -16.64 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.92 -30.7 24.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -49.91 -50.93 44.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -43.49 93.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -97.13 35.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -117.76 163.0 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 t -89.23 138.75 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -129.58 121.76 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.51 171.17 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.73 155.29 45.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -155.06 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -137.65 -169.26 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.95 2.47 51.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.24 -7.64 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.52 33.09 20.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.545 ' HG3' ' ND2' ' A' ' 98' ' ' ASN . 11.2 pt-20 -143.09 142.1 31.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -83.87 91.15 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.545 ' ND2' ' HG3' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -136.63 -169.29 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -111.04 60.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -178.5 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -49.99 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -124.62 121.84 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.0 ptm -115.84 130.26 56.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -85.03 139.65 31.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 17.1 t -97.08 100.99 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.68 150.5 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -95.44 -0.75 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.9 p90 -111.16 154.98 43.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.73 167.77 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.377 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.47 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.73 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.556 0.693 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 72.46 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt -85.64 157.25 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.57 -81.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -112.68 91.57 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.83 148.93 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -174.7 134.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.97 60.03 8.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -171.04 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.3 t -176.09 170.35 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.64 163.38 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 m95 62.74 16.67 9.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.53 -40.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.99 -36.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.03 -30.14 24.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.87 40.09 84.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -154.34 174.47 14.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -151.42 -175.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -135.23 127.03 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.1 t -136.48 147.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.2 160.5 29.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mm -124.03 130.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.0 m -161.37 75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -121.51 -77.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -176.83 134.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.69 -56.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.42 -172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.24 -36.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.82 -46.33 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.7 m -100.91 39.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.62 -42.13 43.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -14.45 61.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -71.82 -19.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.65 3.18 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -120.19 -30.51 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -110.77 -43.85 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -41.44 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.8 86.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.53 -0.98 15.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.44 136.04 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -143.43 156.25 44.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -98.73 141.76 31.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.3 t -118.96 118.63 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -174.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 t -77.49 -57.01 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.75 90.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -140.86 163.35 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.01 157.92 18.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.3 t -64.9 -15.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.8 t -91.12 -24.02 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -32.46 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.34 -19.26 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.52 -8.67 56.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.5 t -112.38 -14.39 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.66 -24.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 94.3 t -89.14 -42.78 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.45 -23.65 63.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.35 -34.95 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.66 -23.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.0 t -78.62 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -26.38 57.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.3 m -76.31 -24.7 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.5 mp -119.39 56.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.719 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mt-30 -126.87 36.66 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.3 m -153.61 68.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -27.54 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.6 -27.47 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.5 mt -86.08 -48.3 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.3 mt -51.38 -49.46 61.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -24.69 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -82.98 -24.01 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtm -92.6 -24.98 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.62 -16.46 5.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 98.5 mt -84.51 114.57 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.79 134.14 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.0 -29.52 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -23.7 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.66 -31.09 41.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.8 m0 -55.73 -38.8 70.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 p -73.39 -25.07 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.28 39.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.39 171.31 8.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.3 t -95.55 133.9 39.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -119.2 95.18 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -86.2 105.24 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -80.05 111.9 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.98 172.77 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 -166.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.64 -2.7 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.89 -19.83 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.61 6.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.75 172.21 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -84.94 81.55 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.92 158.51 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -120.52 58.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.3 t -79.62 -169.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.79 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -140.8 121.04 13.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -125.57 132.42 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -79.14 155.07 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 p -111.24 97.04 6.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.52 140.26 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -80.66 -37.09 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -69.97 154.16 94.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.6 23.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 73.66 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.7 mt -86.65 157.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.84 102.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 47.09 -99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.9 p -126.43 92.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.73 163.61 36.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -174.71 144.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.22 61.25 6.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.69 -56.34 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.81 -62.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -175.73 173.56 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -88.59 164.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.6 m95 61.71 17.59 8.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.53 -37.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.15 -34.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -49.73 -44.48 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.16 37.18 12.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.55 162.95 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -136.68 -176.27 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -138.43 107.65 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.18 153.35 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 135.62 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mm -100.46 123.95 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 m -162.15 84.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -120.97 -76.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -175.57 131.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -150.19 -42.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.09 163.54 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.18 -20.33 11.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -24.99 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 m -129.91 39.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.98 -31.35 56.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -15.69 59.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.9 t -78.96 -5.48 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -120.35 -0.07 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.63 -16.05 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -112.49 -51.93 2.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -50.15 -46.96 54.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.1 t -178.31 92.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.06 -2.78 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -100.41 140.64 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -147.03 145.07 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.46 150.21 24.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 p -141.47 120.86 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.75 -20.91 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.57 10.94 32.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.7 169.39 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 111.154 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.97 155.23 29.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 t -61.99 -17.25 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -89.94 -23.58 21.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -27.5 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -81.8 -15.59 53.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.0 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 8.45 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.8 p -117.16 -23.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.7 t -97.0 -24.91 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.26 -29.42 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -24.09 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.33 0.66 40.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.4 m -109.97 -37.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.29 -73.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -52.64 -39.14 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -63.53 -26.68 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.8 mp -122.24 60.08 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.4 mt-30 -126.85 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -153.4 66.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -25.05 55.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -29.65 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.07 -51.86 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -51.26 -50.98 58.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -24.34 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.35 -28.44 18.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.3 mtm -80.46 -22.94 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.73 0.5 8.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -104.06 115.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.21 133.94 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.85 -24.57 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -23.34 47.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.5 -31.17 47.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -54.79 -38.02 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.02 -23.28 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -120.99 39.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -118.48 -176.79 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -114.73 135.08 54.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -123.74 109.99 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -86.87 119.34 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -84.73 88.85 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -86.09 -179.51 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.48 -167.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.48 0.61 32.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.35 -5.34 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.84 16.48 59.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.09 153.42 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -90.86 72.67 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -127.13 -174.68 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.34 59.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -79.9 -171.61 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -37.1 44.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.6 mtp -124.64 99.85 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.33 163.79 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.03 82.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.37 141.99 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -97.13 53.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -174.82 154.71 1.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.722 0.772 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 168.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.545 0.688 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 73.56 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 mt -85.48 150.64 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.11 131.15 50.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.55 -99.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.2 t -142.69 27.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.07 166.63 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -171.56 135.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.3 75.81 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -108.48 -52.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -166.36 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -175.99 170.94 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.11 164.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.5 m95 61.84 17.52 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -138.73 -38.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.62 -34.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -49.52 -43.47 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.57 37.0 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -154.71 168.54 26.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 -176.2 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.1 124.06 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.9 t -144.2 141.21 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -108.08 162.06 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.2 mm -128.66 121.29 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -161.55 87.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -120.1 -76.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.06 110.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mp -123.41 -56.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.02 179.93 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.44 -27.84 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -46.38 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.34 40.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.32 -33.46 16.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -22.72 61.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.5 t -67.47 -20.72 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -110.35 6.97 22.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -114.98 -21.11 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -116.7 -25.76 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -10.64 29.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -175.94 80.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -118.26 -29.97 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -86.77 138.46 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.46 159.28 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 139.52 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -119.7 119.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.4 t -82.56 -27.04 31.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.67 73.61 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.46 143.28 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 170.39 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 t -69.01 -13.66 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -93.03 -27.98 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -27.32 67.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -79.3 -20.74 47.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.48 -17.15 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.05 -3.61 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 p -105.94 -26.07 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.6 t -84.38 -42.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.1 -26.89 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -95.12 -23.1 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.42 0.91 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 m -105.63 -32.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 79.9 t -63.96 -75.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -37.48 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.3 m -69.55 -29.67 67.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 16.9 mt -124.22 61.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -126.88 36.45 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.8 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.629 2.22 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -152.72 61.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -13.48 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.96 -17.53 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pp -97.61 -36.16 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.6 mt -60.54 -32.07 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -17.23 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.48 -23.19 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptp -100.94 -25.68 14.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.56 -40.35 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.84 112.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.54 138.01 35.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -31.07 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.33 66.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.41 -31.0 60.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 23.8 m0 -52.71 -34.48 52.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -28.42 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.3 m -114.62 39.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.47 -174.06 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.83 109.11 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.08 75.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -56.84 141.52 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -98.65 160.64 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -168.28 171.58 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -118.25 -171.49 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -11.2 60.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.43 -5.36 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.12 31.24 29.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -124.25 135.11 53.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -79.77 82.68 5.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -129.39 166.39 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -77.23 60.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.86 156.07 20.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -28.9 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.34 127.01 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mtp -124.34 109.3 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -79.83 125.13 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.52 97.0 10.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.09 142.21 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -80.92 -5.98 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.0 p90 -110.29 154.54 42.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.97 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.11 22.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.236 . . . . 0.0 112.317 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -48.07 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.23 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.596 0.712 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -89.52 156.77 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -56.17 136.97 52.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.82 -31.15 16.16 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 36.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -160.9 138.36 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -169.88 126.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.71 46.14 54.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -90.04 -33.86 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.47 -68.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -167.28 172.67 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.86 163.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.0 m95 61.51 17.8 8.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -138.76 -39.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 p -123.68 -30.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.7 -51.44 49.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.68 33.07 7.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -146.01 162.3 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -142.51 -176.46 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -135.13 106.26 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.2 p -117.96 120.14 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 147.94 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.4 mm -104.64 138.23 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -160.99 77.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -120.7 -77.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 177.93 146.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.7 -56.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.69 173.54 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.38 -47.99 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -78.87 -31.6 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.53 39.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.9 -52.82 13.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -15.83 59.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 87.5 t -70.99 -20.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.04 3.88 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -119.96 -23.54 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.11 -44.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -42.31 64.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.85 89.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -113.43 -2.49 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.9 138.9 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -146.5 144.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 141.84 56.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 p -135.29 109.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -179.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.35 -25.47 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.53 58.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.94 171.73 9.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -124.12 156.31 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.26 -18.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -90.87 -28.62 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.07 -35.02 74.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -72.26 -21.68 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.08 -18.22 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 9.11 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -122.27 -28.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -82.52 -40.46 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.88 -33.98 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.51 -63.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.16 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 56.8 t -54.45 -25.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 74.5 t -78.03 -68.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -25.26 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.7 m -77.57 -32.51 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.2 mp -109.86 56.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.708 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -126.74 36.77 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.74 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -153.38 67.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -24.56 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -55.91 -23.79 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 69.3 mt -92.97 -45.88 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.2 mt -53.25 -36.79 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -24.94 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -22.44 58.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.2 mtm -99.09 -27.45 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.27 -33.76 2.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.91 110.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.09 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.91 135.0 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.79 -25.17 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -21.76 53.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -81.84 -31.34 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -54.65 -34.7 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.39 -23.82 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -119.83 39.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.1 -174.6 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -115.58 101.51 8.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -91.83 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -90.38 122.3 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -85.76 165.7 16.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -167.4 169.19 12.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.6 -168.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -76.36 -11.05 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.25 4.16 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.24 32.92 59.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -132.71 160.42 36.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.41 85.6 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.93 169.38 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -118.05 60.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.11 -167.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -32.12 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -131.5 178.36 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.13 146.64 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -114.17 133.78 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.5 p -113.19 101.6 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.21 146.68 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.84 -10.39 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.11 155.02 43.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.82 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.543 0.687 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 69.16 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.387 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.5 mt -80.76 159.04 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -171.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.24 -84.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.28 80.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.02 168.48 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -149.87 -171.32 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.47 100.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -114.21 -17.35 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -167.48 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.8 176.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.15 163.16 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 m95 61.23 17.84 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -142.22 -37.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.09 -34.27 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -50.2 -43.79 52.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.98 36.59 12.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -154.22 164.98 37.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.95 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -138.62 -177.11 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -134.18 108.19 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.64 117.73 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -94.66 157.16 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.42 136.76 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -161.43 80.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -120.1 -76.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.5 135.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.04 -56.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.62 -174.0 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 -31.93 4.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -110.92 -34.74 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.0 39.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.46 -49.47 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -23.3 22.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.45 -23.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.23 -8.82 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.89 -30.18 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -12.64 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.0 p 179.87 85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -22.97 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.06 142.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -141.75 163.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 141.91 44.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.1 p -134.13 118.26 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -179.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -0.18 50.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.92 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.7 161.68 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.71 156.68 24.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -62.23 -17.12 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.3 t -89.82 -23.93 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -29.55 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -78.54 -16.2 57.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.84 -3.43 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 2.83 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -117.35 -26.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.5 t -97.55 -2.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.99 -22.1 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.45 -49.94 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.11 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.39 -48.73 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 62.8 t -47.94 -43.02 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -51.63 -50.23 60.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.1 p -87.51 0.51 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.414 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 3.9 mm? -122.9 29.93 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.84 36.23 0.33 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 -49.12 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 m -148.4 62.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 p -70.09 -10.63 59.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -66.14 -13.39 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 pp -104.65 -23.31 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.86 -25.36 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -17.89 64.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.47 -6.51 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mtm -95.39 -26.17 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.01 16.9 4.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.9 mt -129.79 108.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 129.69 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -90.21 -30.87 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -23.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -76.16 -30.63 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -52.11 -42.59 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 m -68.58 -35.19 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.6 m -106.18 38.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.44 166.97 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 t -96.34 134.6 39.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.37 100.06 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.32 144.15 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.11 130.59 52.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.23 168.89 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.79 -166.89 1.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.92 -1.67 40.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -116.07 -26.69 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.3 28.97 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 156.92 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.55 81.4 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -119.46 169.58 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -120.1 48.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -169.74 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -51.79 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -93.45 140.27 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 6.8 ttp -145.23 110.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -79.1 138.88 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 9.4 p -103.84 104.73 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -108.76 143.55 37.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -82.95 -36.77 24.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -71.53 154.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.738 0.78 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 167.56 24.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.77 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.568 0.699 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 73.27 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.59 147.4 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -76.52 143.38 40.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.99 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.147 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.65 170.64 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -174.43 134.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.84 66.57 2.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -105.95 -60.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.97 -64.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -169.83 173.6 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.55 162.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.9 m95 61.81 17.5 8.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -136.82 -39.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.7 p -124.71 -32.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.12 -38.2 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.47 34.34 45.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -153.77 163.34 40.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -133.79 -175.42 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -145.15 107.42 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.2 p -115.84 152.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.56 156.72 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.65 130.08 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -160.72 70.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -120.12 -76.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.46 137.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tp -146.81 -54.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.05 164.1 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.02 -22.78 12.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -24.41 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.01 55.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.44 -48.26 7.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.03 -21.02 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.8 t -61.87 -21.93 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.85 6.1 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -21.24 9.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -118.96 -26.94 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.45 -20.02 22.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.86 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -16.09 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.69 142.12 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.01 139.95 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 94.7 m -116.22 130.13 56.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.96 163.18 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.13 -169.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -24.49 38.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.12 87.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.08 145.52 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.21 168.36 9.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -69.32 -14.45 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -91.94 -26.52 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -34.12 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -70.68 -21.84 62.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.24 -6.87 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.3 5.57 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 p -120.29 -9.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 t -115.82 -3.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.71 -20.71 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -102.8 -40.57 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.5 83.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.0 m -54.14 -42.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.9 t -57.35 -47.92 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -51.23 -34.93 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.2 m -89.7 -21.62 22.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -104.89 49.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.724 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.1 mm-40 -127.01 35.95 0.31 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.724 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.76 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.623 2.215 . . . . 0.0 112.398 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 m -157.05 62.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -13.79 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.25 -17.22 57.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pp -96.61 -36.24 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -60.18 -33.09 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -18.37 62.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -76.48 -23.84 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.2 ptp -100.73 -25.93 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.64 -33.86 2.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.74 106.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.6 130.37 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -91.01 -31.19 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -14.06 61.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -86.92 -30.12 21.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -50.04 -51.32 43.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -44.12 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -97.2 35.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.86 -176.64 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.1 m -111.84 89.03 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.63 120.66 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -99.62 161.97 13.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.67 147.32 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.52 -178.77 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.44 179.34 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -71.98 -17.34 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.36 -1.58 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.63 35.26 11.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -127.56 145.79 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.96 75.28 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.07 174.85 6.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -119.37 56.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -79.74 -168.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -31.96 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -124.46 139.35 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.5 ttp -140.3 111.52 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -79.74 123.41 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.6 t -90.4 101.34 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.85 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -95.87 18.46 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.4 p90 -135.66 155.06 78.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.716 0.77 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.4 Cg_endo -69.81 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.44 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 121.592 0.711 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -5.3 15.86 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 mt -86.14 155.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -57.16 151.33 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.88 -45.94 31.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.86 55.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.1 m -161.98 145.3 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -172.27 126.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.62 46.3 38.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -87.38 -34.93 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.63 -68.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.5 t -176.86 142.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.67 158.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.0 m95 63.72 12.27 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -152.46 11.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -157.58 -34.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -23.34 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.54 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -158.02 164.85 36.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -141.89 -179.97 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -131.55 125.73 33.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -126.16 144.67 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 155.03 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.3 mm -116.23 136.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -159.54 67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -120.75 -77.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 177.24 150.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -159.47 -54.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -140.5 176.31 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.98 -46.71 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -26.79 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 m -131.43 39.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.56 -58.43 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -20.81 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.87 -20.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -117.99 9.1 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -120.5 -25.13 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.58 -23.17 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -100.99 -6.16 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.28 84.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -125.76 -36.62 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.42 135.61 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -142.42 149.76 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.2 147.82 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.0 p -140.07 113.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 169.9 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -77.88 -6.83 55.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.21 -19.82 7.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.58 140.25 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.51 169.23 9.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -69.0 -12.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -94.68 -27.48 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.03 -37.73 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.38 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.7 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.27 12.62 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -120.23 -31.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -94.26 -4.16 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.04 0.21 16.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -36.44 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.95 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -64.53 -32.52 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.1 t -58.21 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -30.2 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.0 m -74.67 -24.31 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.5 mp -120.93 54.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.72 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.3 mt-30 -127.05 36.67 0.35 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.1 m -153.54 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -8.23 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.61 -14.57 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 pp -100.31 -24.68 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mt -76.54 -28.68 56.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -22.89 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -99.53 -20.34 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.62 -26.66 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.43 17.28 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.7 mt -129.19 112.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.96 135.23 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.71 -34.02 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -23.57 65.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.02 -30.25 49.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.64 -27.26 38.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -25.64 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.97 40.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.09 -179.94 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 m -104.34 101.7 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -95.15 127.87 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.16 171.67 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 mp -141.53 166.47 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -161.74 179.32 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.67 177.83 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.03 -14.18 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.82 5.53 45.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.94 30.67 67.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -131.32 155.23 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.66 86.84 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.51 172.37 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -117.08 54.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.9 -165.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.71 -54.75 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -126.01 157.25 38.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.4 ptm -147.1 135.24 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -79.82 138.2 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 39.6 t -103.98 100.89 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.79 148.99 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.79 -1.63 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.414 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.1 p90 -113.27 155.03 45.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.744 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.75 167.83 23.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.14 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.81 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.547 0.689 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 78.13 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt -91.3 114.66 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm 41.61 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.35 87.62 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t 55.78 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 m -161.0 150.16 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -162.21 145.97 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.4 58.36 13.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -112.06 -56.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -131.87 -67.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -175.42 175.15 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.4 164.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.3 m95 61.84 17.36 8.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -138.37 -37.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.85 -35.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -49.85 -44.83 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.78 36.78 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -151.53 166.88 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 -176.11 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -137.25 104.4 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -112.44 151.57 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.3 158.07 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.7 mm -118.48 127.82 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -120.29 -76.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.0 129.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.44 -57.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -130.8 173.01 11.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.64 -47.71 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -76.54 -18.47 58.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.09 43.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.95 -58.33 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -12.99 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.81 -16.7 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -120.64 2.43 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -25.83 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -113.13 -45.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.71 -48.76 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.92 83.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.16 -0.21 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.86 142.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -149.12 159.18 44.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.5 136.1 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.88 120.35 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -172.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.2 t -82.85 -37.03 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.1 84.5 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.09 164.9 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.08 155.58 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.46 -17.68 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 t -90.24 -22.61 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.9 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -85.84 -14.6 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.56 -13.3 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.26 -5.45 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.0 p -108.52 -26.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.01 -15.02 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.08 0.29 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.07 -33.92 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.17 0.64 40.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.72 -35.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.7 t -60.75 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -55.65 -24.78 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.7 m -83.79 -24.98 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 1.7 mm? -113.92 50.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.733 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -127.08 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.966 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.71 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -154.36 66.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -70.92 -10.51 59.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -67.74 -12.98 61.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.2 pp -108.91 -6.62 15.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 76' ' ' MET . 16.4 mt -96.93 -21.02 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.83 0.26 40.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 0.72 17.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.405 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 7.6 ptp -116.79 -26.21 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.25 1.4 5.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 68.8 mt -105.43 104.88 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.63 135.28 36.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -34.1 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -22.23 65.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -79.07 -30.53 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -51.82 -40.46 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 p -71.36 -34.54 70.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -107.77 39.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.38 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -95.41 109.32 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.54 125.55 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -116.65 153.51 32.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.7 142.87 46.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.49 -178.87 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.51 -168.56 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -15.98 55.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.62 2.26 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.1 30.1 51.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -129.1 161.1 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 84.21 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.2 164.3 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -120.01 58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.88 -169.73 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -34.44 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -122.19 148.5 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mtt -140.61 140.27 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -105.08 115.11 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.5 t -85.76 98.54 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.85 153.49 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.65 37.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.415 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.7 p90 -159.49 155.02 22.42 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.716 0.77 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.81 167.65 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.88 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.533 0.682 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 72.53 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 34.7 mt -84.53 144.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.31 145.72 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.56 -99.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.89 24.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.6 m -72.8 157.75 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.65 133.11 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 62.04 3.86 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.94 -47.88 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.68 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -167.92 171.08 10.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.01 163.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.6 m95 61.62 17.91 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -138.27 -39.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -124.16 -30.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.4 -41.12 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.6 31.99 43.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -151.08 158.01 43.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.927 0.394 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -132.86 166.38 22.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -127.44 108.47 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -108.04 146.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.18 164.2 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.06 146.62 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -154.16 34.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.13 -73.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 176.61 169.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.97 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.66 -177.29 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -118.44 -34.77 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -23.29 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.5 m -129.4 40.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -71.17 -51.45 24.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -15.47 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.87 -16.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.18 -2.28 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.83 -26.37 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.79 -32.35 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 -23.74 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -177.13 86.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -17.24 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 t -81.39 142.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -151.27 135.47 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.47 151.5 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 p -151.66 111.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 176.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 t -81.01 -20.3 42.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.45 72.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.78 169.24 17.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.152 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 156.4 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.4 t -62.84 -16.39 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -91.07 -23.5 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -31.06 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -76.61 -18.73 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.77 -20.17 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 8.7 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.9 t -120.02 -31.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.56 -17.28 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.36 -19.79 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.11 -27.81 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.3 0.33 42.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.7 m -103.45 -35.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.01 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -36.93 63.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.3 m -71.53 -24.01 61.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 7.3 mp -119.28 61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.1 mm-40 -126.76 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 m -154.65 65.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -27.3 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.94 -23.84 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 47.7 mt -91.54 -48.42 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.22 -44.34 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -55.25 -25.56 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -19.19 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtm -94.28 23.26 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.18 36.51 63.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.3 mt -142.56 113.01 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.81 142.67 33.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.82 -31.7 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -22.49 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.16 -30.91 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -56.75 -32.92 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -80.2 -19.38 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.56 39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.53 -178.09 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -117.41 102.81 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.15 104.44 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -90.11 123.72 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -99.32 103.65 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.59 -177.63 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.06 -173.21 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.74 -15.77 58.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.89 0.02 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.73 34.14 28.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -128.12 165.21 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -102.03 61.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.85 -175.84 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -114.62 62.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 t -77.27 -165.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -46.01 -45.89 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.85 178.19 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -147.75 156.62 42.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.62 120.4 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 104.72 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.07 115.91 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -64.61 -15.3 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.418 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.8 p90 -107.97 155.06 40.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.9 Cg_endo -69.74 167.56 24.07 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -55.69 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.615 0.722 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -38.04 8.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 mt 55.74 38.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.13 3.98 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.75 -75.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.9 t -80.24 161.94 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.61 145.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -153.45 129.03 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.64 53.3 2.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -96.94 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -70.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.2 t -175.79 176.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.65 161.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.9 m95 61.9 17.32 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.94 -51.26 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -102.2 -24.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -60.11 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.9 40.59 63.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -153.81 170.74 20.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -150.41 -177.2 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -128.07 119.68 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 95.8 t -121.71 127.18 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.04 155.22 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.9 mm -128.52 122.14 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -161.37 86.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -120.97 -79.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 176.5 123.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mp -133.61 -56.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.65 -175.99 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.16 -41.63 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.94 -35.02 11.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.5 m -114.37 51.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.77 -36.71 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -23.02 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.7 -23.16 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.43 9.22 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -120.66 -30.5 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.17 -21.05 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -6.31 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -179.3 84.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 -37.88 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.74 135.3 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.44 156.0 45.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.1 134.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -71.03 -175.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 0.08 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.38 71.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.39 156.86 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.09 155.17 25.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -62.46 -16.71 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -91.24 -24.36 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -71.36 -23.26 61.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -19.8 62.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.72 13.22 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.15 -41.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.0 t -79.98 -22.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -34.11 74.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -97.25 -37.79 9.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.18 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.0 t -87.8 -28.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.0 t -69.7 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -57.93 -21.13 42.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -92.47 -22.52 19.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 11.1 tp -116.76 63.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 5.4 mm-40 -126.97 36.33 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -159.03 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -11.2 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.82 -13.71 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -100.79 -14.73 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.63 -22.97 20.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -10.26 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -93.53 -12.51 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.1 ptp -106.47 -19.98 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.46 -26.98 5.1 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 95.6 mt -69.16 106.73 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.69 131.62 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -90.29 -31.82 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -22.27 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.57 -30.82 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 28.2 m0 -54.13 -34.81 61.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -27.98 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.7 m -114.38 39.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.37 -169.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -123.51 97.84 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -95.59 108.93 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -90.42 134.3 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -88.96 152.07 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -153.5 174.31 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.95 -178.89 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.81 -12.64 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.17 47.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.02 30.64 65.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -128.84 158.09 39.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.44 86.04 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.26 166.4 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -115.85 60.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.27 -167.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.6 -29.76 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -150.62 134.0 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -127.25 132.52 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -79.92 148.2 31.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.3 p -116.54 98.29 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.76 150.19 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -57.22 4.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -52.39 154.88 4.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.69 0.757 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.24 . . . . 0.0 112.374 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.43 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.91 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.522 0.677 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -29.82 23.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER 54.17 179.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -5.18 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.74 -53.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.86 161.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m 65.5 149.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -163.49 137.81 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.9 59.6 6.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -112.24 -34.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.66 -65.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.3 t -175.7 174.94 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.08 164.23 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.4 m95 63.11 16.46 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -137.24 -41.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.85 -36.95 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.75 -30.31 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.38 78.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -154.77 174.79 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -149.19 -176.09 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -140.55 92.95 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -105.55 137.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.08 152.76 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 mm -113.65 136.72 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 100.0 m -161.76 82.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -120.09 -81.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.54 138.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -137.64 -58.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -132.35 152.33 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.57 -20.53 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 -22.2 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.2 t -115.87 60.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.22 -29.7 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -13.56 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.31 -23.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.41 7.95 23.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -110.1 -33.89 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.79 -43.33 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -13.97 61.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 178.7 94.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 p -139.76 -41.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.83 132.14 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -141.25 149.59 41.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 152.43 21.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.98 133.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.08 -175.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -0.04 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.85 72.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.54 155.42 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.92 156.88 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 t -61.86 -17.21 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -89.87 -23.5 21.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -31.71 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -75.42 -18.12 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.46 -6.79 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 -16.36 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.74 -21.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.8 t -86.28 -23.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.37 -14.23 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.83 0.33 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.14 -51.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 63.9 t -53.7 -45.43 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.7 -42.37 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.95 -50.16 74.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -44.09 82.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 7.9 mp -82.88 54.36 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.732 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mm100 -126.67 36.34 0.33 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.79 -49.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -158.98 67.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.33 -18.03 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -22.59 54.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.75 -38.1 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.3 mp -53.99 -38.08 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -23.25 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -77.73 -29.87 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 ptp -89.53 -27.29 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.72 -42.7 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 88.5 mt -55.58 130.04 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.42 120.07 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.34 -12.15 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -22.01 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -88.85 -26.22 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -56.65 -36.98 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -75.34 -28.55 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 30.5 m -112.54 39.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.56 -179.72 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.2 m -105.09 96.42 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.41 143.71 26.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -129.42 170.28 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.72 167.97 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -164.07 -178.23 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.67 -178.94 6.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.15 -11.19 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.63 5.35 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.65 62.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -129.55 155.23 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -90.52 70.52 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -114.24 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -120.12 59.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.67 -169.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 m -51.94 -29.15 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -148.52 133.65 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.01 131.51 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -79.82 132.97 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.8 t -101.46 103.34 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.19 169.9 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -107.76 0.63 22.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.424 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.0 p90 -113.16 155.18 44.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.34 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.75 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.545 0.688 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -7.5 21.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mt -88.39 167.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -64.79 -10.94 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -82.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.41 59.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 m -162.26 145.96 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -174.89 126.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.47 34.35 19.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -82.32 -49.93 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.0 -68.26 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.9 t -176.13 178.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.81 162.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.4 m95 61.76 18.09 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.36 -40.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.7 p -125.53 -31.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -49.92 -47.25 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.45 35.91 10.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -153.12 164.52 37.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.917 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.47 -175.68 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.05 107.43 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.91 130.26 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 153.01 24.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.56 135.03 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.48 79.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -120.65 -79.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 175.45 145.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.31 -55.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.01 -179.73 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.76 -44.17 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -89.83 -31.37 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 m -117.98 49.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.19 -44.01 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -22.09 63.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -17.99 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 pp -120.7 3.8 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.16 -6.27 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.89 -37.49 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 23.43 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 48.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 p -109.1 -33.77 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.15 137.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -142.07 161.56 37.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.16 155.8 20.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 p -151.27 127.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.05 -24.8 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.8 83.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.99 166.63 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.42 156.28 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.5 t -62.07 -17.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.5 t -90.41 -24.78 20.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -75.62 -18.87 59.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.18 -3.88 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.23 -7.7 11.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -104.53 -23.34 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.7 t -89.95 -21.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.42 -28.79 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.65 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.89 1.57 53.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -110.13 -19.73 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.509 ' O ' ' HG2' ' A' ' 67' ' ' GLN . 46.7 t -74.73 1.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.65 -18.71 13.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.7 -24.91 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.427 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 3.5 mm? -107.09 34.28 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.721 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -125.61 37.11 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -148.34 70.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -55.53 -29.8 59.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -17.07 58.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.6 mt -101.55 -36.12 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.96 -40.2 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 m -53.99 -33.89 58.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.49 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -93.73 17.91 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.56 33.7 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mt -137.68 111.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.33 129.73 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -82.91 -27.0 30.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -23.26 45.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.14 -30.18 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -58.82 -25.74 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -87.38 -24.47 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.2 m -116.17 39.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.5 179.52 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -105.34 96.79 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.97 109.77 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -91.92 161.61 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -140.25 136.37 33.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.2 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 -167.29 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.27 0.16 38.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.12 1.13 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.4 32.92 18.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -121.23 148.53 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.96 74.94 7.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -122.54 -177.23 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -118.94 60.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.6 p -79.83 175.17 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -39.06 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -126.24 116.79 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.17 129.24 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -79.74 128.94 34.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.3 t -99.66 104.66 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.75 167.43 9.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -42.64 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -66.95 154.39 92.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.713 0.768 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.81 23.27 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.08 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.569 0.699 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 72.52 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.7 mt -86.24 157.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.33 -78.94 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.55 86.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.3 147.39 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -174.52 130.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.16 59.07 8.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -98.73 -37.84 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -170.95 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -165.62 174.16 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.26 163.46 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 m95 61.42 17.9 8.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -138.87 -39.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.28 -30.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.71 -45.67 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.47 35.62 11.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -153.74 161.23 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -136.51 -176.04 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -135.86 105.49 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 p -112.58 133.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -100.41 166.78 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mt -143.51 141.74 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 t -178.99 93.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -121.83 -74.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.5 114.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -130.11 -58.19 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.83 -179.29 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 -33.21 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -103.37 -34.95 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.67 40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -87.99 -34.02 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -18.54 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.9 t -62.85 -21.03 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 pp -120.79 7.59 10.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -13.06 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.96 -57.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.85 16.43 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.55 57.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -31.04 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.15 143.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.67 168.97 18.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 144.1 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -141.16 122.07 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -91.32 -0.0 57.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.77 69.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.15 148.35 49.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.137 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.04 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.3 t -70.11 -15.15 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -91.09 -26.94 18.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -34.51 78.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -69.02 -23.51 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.59 -6.81 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.13 -14.05 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.78 -22.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 44.7 t -94.72 -16.25 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.68 0.2 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -112.42 -33.39 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.79 -42.92 26.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -53.27 -43.23 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.06 -47.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -50.95 -57.02 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -28.43 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -98.39 47.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.728 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.6 mm100 -126.82 36.44 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.74 -49.63 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -154.87 65.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -25.13 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -57.97 -22.69 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -87.86 -46.71 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 12.7 mt -51.82 -46.03 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -30.28 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -20.27 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.1 mtm -94.01 19.59 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.68 37.53 84.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.0 mt -142.97 110.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 129.34 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -89.69 -31.8 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -22.14 61.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.51 -30.75 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 19.9 m0 -50.24 -52.6 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -43.44 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.6 p -97.63 35.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.51 -173.81 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -110.71 100.92 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.57 126.37 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -109.27 137.9 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -99.23 147.84 24.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -156.25 -178.71 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -146.59 -175.31 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.45 -6.41 46.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.2 4.24 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.12 34.61 86.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.28 157.83 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -91.18 80.59 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.47 -179.72 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -114.67 59.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.31 -168.73 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.61 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.49 133.59 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.2 ttp -128.89 106.92 9.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.44 161.23 26.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.6 94.63 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 145.52 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -86.22 -2.66 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -112.98 154.93 44.85 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.735 0.778 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -49.52 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.592 0.71 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 70.4 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 mt -90.22 160.15 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 92.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t 52.99 91.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.0 m -162.67 153.11 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -163.0 127.56 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.88 72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -110.0 -27.59 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -171.42 -63.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -175.93 179.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.38 163.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.1 m95 61.47 17.45 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.73 -37.38 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -121.53 -34.71 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.94 -42.55 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.8 17.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -156.09 177.64 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 0.0 110.948 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -175.97 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -145.07 107.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.59 141.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -127.09 149.04 50.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -105.91 127.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -161.38 81.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -121.11 -76.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -176.67 137.32 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.67 -56.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.95 171.76 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.37 -28.37 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 -41.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.4 m -110.76 39.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -83.5 -45.74 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -24.01 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.17 -18.22 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pp -118.6 8.28 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -117.73 -20.8 8.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.32 -33.32 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -34.79 77.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 86.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 -18.04 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.35 142.01 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 168.83 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.28 135.18 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.88 121.44 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 t -86.63 -0.01 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.65 67.23 0.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 111.118 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.87 170.06 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.3 t -67.73 -13.85 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -92.88 -28.41 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -60.24 -34.99 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -68.98 -27.35 65.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.29 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -17.22 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 p -100.33 -17.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 83.4 t -89.19 -24.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.28 -17.68 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -101.24 0.52 37.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.01 1.15 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.63 -39.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.26 -67.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -27.8 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.1 m -77.83 -33.93 52.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.406 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 8.7 mp -110.81 65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.703 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.9 mm-40 -126.75 36.84 0.35 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.3 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -152.49 67.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -22.2 59.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.09 -23.49 47.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.86 -46.46 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.5 -33.81 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.9 m -63.13 -20.54 65.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -103.99 -15.84 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.6 mtm -91.62 16.09 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.04 -12.9 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.09 83.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 5.0 t0 -85.74 98.66 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -34.24 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -28.49 23.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 79' ' ' ASP . 6.2 pt-20 -89.56 -30.78 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -52.69 -40.51 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -42.18 75.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -99.94 35.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.61 -176.36 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 98.52 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.53 94.99 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -79.4 122.98 27.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.51 142.5 34.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -150.13 -178.38 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -140.48 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.05 -2.03 53.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.01 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -130.68 141.69 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -82.08 76.27 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -124.3 -177.09 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.37 60.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -79.19 -165.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -134.72 -174.44 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.1 mtm -163.3 147.76 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -114.14 141.65 47.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.7 p -109.81 100.72 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.89 139.05 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -71.14 -10.33 59.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -112.34 154.92 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.665 0.745 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.3 Cg_endo -69.72 167.59 23.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.46 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.83 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -37.05 9.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 mt 64.7 154.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -161.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.93 -85.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 p -127.84 93.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.74 173.4 12.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -149.93 -173.43 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.59 101.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -117.68 -28.05 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.87 -56.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t 179.3 159.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.69 162.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m95 62.18 17.06 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -141.37 -50.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.47 -26.02 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -62.21 -30.08 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.44 38.65 69.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -154.7 177.91 10.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.984 0.421 . . . . 0.0 110.928 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.82 -175.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -131.83 125.77 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 96.2 t -134.33 122.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 138.71 42.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mm -106.49 125.39 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -152.95 76.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -120.37 -76.83 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 143.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -150.83 -55.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.84 -179.19 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.1 -33.2 3.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -103.87 -18.89 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.9 m -134.42 49.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -52.52 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.73 -14.45 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.25 1.74 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -13.78 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.48 -32.72 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p 179.67 88.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -7.1 15.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 p -93.06 142.72 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -143.22 159.71 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.75 138.0 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.6 t -118.69 121.95 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.05 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -75.51 -39.16 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.03 82.61 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.15 164.64 22.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.77 155.68 20.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.42 -16.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.4 t -90.23 -20.99 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.37 71.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.02 -16.75 60.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.94 48.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.97 -15.37 13.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.4 p -105.48 -29.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.3 t -83.39 -21.59 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.4 -4.81 59.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.4 -45.37 62.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.5 m -55.66 -24.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.2 t -84.74 -61.59 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -20.11 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -92.87 0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -133.72 55.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.716 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 8.6 mt-30 -125.57 37.06 0.35 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.635 0.731 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.753 2.302 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 m -153.78 59.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -69.32 -10.93 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -65.1 -15.26 62.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 pp -101.56 -37.81 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 54.8 mt -56.39 -33.87 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -17.11 60.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -20.36 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.57 -26.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.92 -33.83 2.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 124.35 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.06 141.42 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.25 -35.33 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -15.97 60.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -89.88 -30.14 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -50.56 -43.98 56.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -44.6 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.48 35.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.26 179.58 4.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -100.66 91.02 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.15 115.01 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -99.42 121.86 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.02 148.81 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -151.99 166.64 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -168.39 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.83 -0.23 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.85 4.01 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.7 39.75 33.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -141.76 159.93 41.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.88 84.92 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.71 168.51 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.71 56.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.5 p -79.05 -168.25 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -49.34 -31.06 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -134.07 159.68 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.3 mtm -146.0 120.32 9.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -79.75 126.88 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 103.8 13.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.76 158.87 16.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -87.71 -6.45 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.405 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.76 155.01 43.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.706 0.765 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.71 167.53 24.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.375 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -55.6 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 77.58 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -94.77 142.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.02 -156.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.66 -21.27 6.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.4 t -146.48 21.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.07 137.4 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -157.54 128.0 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.72 54.72 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -107.97 -43.34 4.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.0 -66.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -175.74 174.26 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.31 164.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m95 61.87 17.38 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.83 -37.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 -35.06 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.65 -43.76 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.48 36.67 16.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -149.23 162.88 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.52 -178.62 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -131.02 126.85 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.39 133.76 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 158.09 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.0 mm -125.22 129.04 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.33 80.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -120.2 -76.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.12 105.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.88 -57.59 2.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.45 -179.31 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -27.21 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.01 -40.48 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 m -113.32 48.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.58 -40.23 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -20.69 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.3 t -65.11 -14.46 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.33 -1.34 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.82 -19.52 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -113.95 -30.35 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -79.06 -28.12 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.94 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.89 141.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -146.04 161.15 40.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 147.94 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 p -141.74 108.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 178.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -87.1 0.12 55.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.69 -15.06 6.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.31 144.43 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 111.112 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.29 168.57 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.08 -14.74 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -91.5 -26.67 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.22 -34.79 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -69.93 -22.9 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.8 -2.66 37.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -1.94 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -111.13 -21.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.12 -45.98 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.79 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.07 -53.05 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.87 -33.18 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.4 m -66.4 -39.15 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 75.2 t -50.9 -69.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -49.88 56.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 34.4 m -54.42 -32.12 56.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 10.9 mt -115.71 61.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -127.26 36.08 0.32 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 m -156.0 66.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.5 m -73.79 -7.52 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.88 -18.99 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 pp -96.18 -38.64 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.8 mp -53.15 -42.6 66.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.23 -20.66 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -30.17 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.4 ptp -91.36 -13.2 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.36 -46.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 49.1 mt -59.04 125.35 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -128.35 106.45 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.48 -31.08 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -25.19 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -88.52 -31.9 18.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -53.87 -29.57 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -25.84 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.53 39.63 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.81 178.51 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -104.38 116.08 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -113.7 125.73 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -111.24 -174.47 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.1 mt -151.21 156.01 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -158.08 174.12 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -166.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.89 0.4 55.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.99 -25.74 8.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.69 30.1 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.79 144.61 50.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -91.49 79.02 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -122.11 -169.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -117.81 54.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -79.91 179.58 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -44.52 62.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 126.31 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 31.6 ttm -125.58 129.88 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -107.99 117.47 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.8 t -80.95 93.9 6.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.4 p -90.17 137.31 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -85.41 -4.34 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.401 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.6 p90 -113.99 154.99 45.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.71 167.49 24.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 72.87 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.3 mt -87.14 157.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.35 -172.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.45 96.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t 51.37 88.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.51 157.98 33.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -174.77 134.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.73 63.23 4.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -102.35 -38.93 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.0 -61.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -179.34 133.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 14' ' ' TRP . 1.6 p -51.18 156.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 4.9 m95 67.61 10.51 7.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.98 -37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -120.19 -27.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.16 -35.85 38.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.42 35.8 19.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -157.87 163.99 37.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.93 -174.73 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -144.17 115.24 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -128.99 137.78 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.33 163.96 12.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.7 132.54 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -161.84 86.59 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -120.36 -76.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -179.68 124.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -139.24 -55.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -134.37 172.29 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.62 -27.92 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -99.21 -24.5 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.6 m -132.53 46.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.98 -50.09 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -16.29 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -63.36 -21.47 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 pp -120.87 5.99 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.17 -15.1 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.48 -32.54 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -89.62 -10.12 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.8 p 179.41 84.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.31 -22.44 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -87.1 138.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.61 137.8 42.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 126.39 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.3 t -112.36 110.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 176.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.54 87.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.86 150.54 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.03 157.28 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 t -62.66 -16.33 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.6 t -92.07 -23.44 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.87 -35.47 80.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -71.16 -24.69 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.6 -23.06 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 12.39 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.8 t -120.11 -31.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.5 t -94.01 -5.44 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.88 -23.1 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.41 -30.79 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.06 0.33 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.4 m -105.8 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 96.7 t -58.01 -65.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -51.6 -37.71 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.8 m -70.03 -31.41 69.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -109.54 49.84 0.81 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mt-30 -127.04 36.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.732 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.4 Cg_endo -69.83 -48.54 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.289 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.56 60.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -66.4 -13.62 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.59 -17.77 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 pp -95.91 -36.01 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.26 -32.01 71.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -18.18 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -74.33 -24.33 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.3 -24.63 13.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.76 -34.38 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.78 109.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 132.92 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -90.94 -33.15 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -21.7 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.65 -30.61 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.9 m0 -53.01 -39.97 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.68 -31.55 66.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.0 m -111.28 39.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.38 -174.56 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -110.61 100.91 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -97.97 110.06 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -94.81 135.41 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.26 139.18 32.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -148.53 -178.49 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.54 -174.87 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -73.26 -6.42 45.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.1 1.52 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.79 29.75 69.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -133.09 157.48 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -90.72 77.69 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.62 -176.21 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -120.14 60.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -79.42 -174.92 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -29.32 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 129.37 36.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptm -129.07 125.43 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -82.59 163.68 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.4 p -120.13 92.07 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.99 139.28 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -78.9 -36.44 42.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.43 154.46 93.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.761 . . . . 0.0 110.906 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.55 24.09 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -55.68 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.49 -56.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 73.52 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.6 mt -85.65 144.64 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -86.46 143.32 27.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.91 -89.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.24 27.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.84 167.22 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -174.39 133.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.78 77.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -109.86 -56.25 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.84 -46.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.4 t -169.91 164.28 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 t -89.84 163.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.0 m95 62.91 16.6 9.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.21 -41.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.42 -35.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.87 -29.87 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.62 39.91 86.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -153.73 173.81 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.46 -175.53 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -142.84 107.71 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.6 p -118.86 153.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 156.58 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.3 mm -111.34 140.33 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -160.88 64.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -120.73 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -179.08 159.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.0 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.42 -174.42 3.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.34 -33.41 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -31.88 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.85 39.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.81 -48.4 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -13.84 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.8 t -71.25 -20.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.5 3.62 10.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.57 -24.12 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -120.1 -32.27 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -28.85 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.98 86.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.16 -10.5 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -88.58 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -144.23 150.48 38.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.65 142.62 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.8 t -126.87 113.24 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 174.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.95 0.03 57.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.55 63.31 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 t -122.87 -171.69 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.163 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.06 158.72 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' HA ' ' CE2' ' A' ' 54' ' ' PHE . 21.1 t -59.23 -20.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -84.34 -25.82 28.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.88 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 51' ' ' VAL . 13.6 m-85 -69.49 -18.4 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.07 -6.0 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -11.6 13.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.5 p -105.9 -27.92 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.08 -7.87 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.92 0.02 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -118.27 -8.38 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -105.61 2.11 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.01 -19.38 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.41 1.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 -7.02 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -121.11 -10.5 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 4.0 mm? -107.49 15.74 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.39 36.81 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.74 -25.22 28.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -153.89 53.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 m -58.62 -17.75 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -57.32 -20.76 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 pp -103.18 -36.73 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp -65.67 -38.55 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -69.14 -16.95 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.5 ptp -86.16 -28.46 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -23.2 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.7 mt -80.01 111.4 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.9 t0 -111.82 101.7 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.27 -30.79 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -28.38 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' ' 79' ' ' ASP . 7.8 pt-20 -88.37 -33.05 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 9.4 m0 -51.67 -42.54 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -40.8 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.62 34.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.0 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -113.66 100.25 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -88.35 125.54 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -110.17 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.49 163.45 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -162.47 164.76 26.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.92 -175.21 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -11.12 60.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.28 4.47 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.44 33.88 63.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -133.58 158.95 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.81 86.25 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -128.04 169.79 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -120.01 59.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -168.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -44.55 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -110.3 148.3 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.7 mtt -132.42 147.09 52.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -119.51 133.01 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -99.85 102.29 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -100.24 118.14 35.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -65.19 -16.51 63.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -105.8 154.9 39.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 167.77 23.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.04 2.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.97 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.584 0.707 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -32.98 17.47 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt 64.64 152.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -57.21 133.11 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.11 38.88 8.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.6 t 44.65 36.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m -84.21 157.29 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -158.38 131.18 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -110.21 -54.32 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -164.41 -64.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -164.72 170.35 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.11 163.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.9 m95 61.69 17.72 8.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -137.62 -39.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.2 p -125.02 -31.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -50.77 -45.53 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.1 35.67 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -147.31 176.64 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.418 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.65 -176.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -140.39 114.16 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -129.32 152.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 155.43 43.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.81 131.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -161.41 82.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -120.34 -75.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 178.97 131.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -55.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.69 177.96 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 -16.86 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -120.83 3.12 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 3.1 p -162.33 38.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -39.54 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -16.13 63.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -77.08 -12.62 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.68 3.68 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -120.5 -18.22 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.45 -28.79 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 -7.59 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p 179.77 85.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p -116.27 -18.05 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.26 139.9 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -139.38 153.77 47.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -99.95 136.5 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -116.66 121.08 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -54.32 176.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -26.45 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.832 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.13 83.81 0.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.1 156.02 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.113 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.67 152.27 32.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 t -62.05 -17.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -93.28 -17.88 23.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -35.2 77.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -72.98 -21.85 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.27 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 12.49 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.24 -31.81 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.6 t -93.15 -4.22 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.81 -6.87 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -112.9 -49.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -41.28 69.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.81 -45.31 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.0 t -55.16 -42.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -48.92 -68.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -20.51 55.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 10.5 mp -109.3 51.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.1 mm-40 -126.95 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.76 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -158.1 70.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -5.7 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -73.06 -14.56 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 pp -99.92 -38.47 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.403 ' HA ' ' HG2' ' A' ' 76' ' ' MET . 8.3 mp -57.23 -42.87 82.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -59.74 -21.35 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -79.24 -32.29 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 5.7 ptp -87.88 -22.58 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 -42.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.13 118.92 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.37 135.7 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.7 -33.9 15.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -20.0 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -83.33 -30.66 27.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -51.61 -43.19 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -35.87 78.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.2 m -106.31 38.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 -176.0 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -113.97 98.18 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -90.43 118.33 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -102.09 125.43 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -100.9 90.1 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.99 -179.63 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -167.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.69 0.1 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.42 -3.55 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.81 35.61 8.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.35 156.73 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.86 69.57 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -119.98 131.4 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' O ' ' CG ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.11 57.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -77.95 -169.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -50.57 -31.61 16.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -133.22 130.54 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -132.84 116.5 16.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -79.75 136.69 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.54 89.0 6.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.31 127.53 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -72.24 -10.3 59.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.407 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.9 p90 -113.04 154.94 44.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.685 0.755 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.77 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.399 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.79 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.56 0.695 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 73.73 1.34 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 30.6 mt -87.53 157.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.71 95.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t 53.8 91.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.22 163.66 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -174.55 145.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 74.59 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -113.56 -43.08 3.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.7 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 t -164.58 160.49 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.1 162.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.6 m95 62.39 17.12 9.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.95 -46.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.6 p -102.89 -27.93 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.32 40.43 55.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -155.0 170.94 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.969 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.14 163.6 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -117.15 128.16 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.58 125.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.44 161.81 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mm -121.27 139.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.6 m -161.35 75.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -121.27 -78.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 174.99 156.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -163.12 -54.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -138.7 -178.64 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.23 -42.78 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -77.44 -21.87 52.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.6 m -138.12 45.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.6 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.81 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.92 -14.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -1.37 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.13 -15.36 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -115.15 -30.91 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -86.55 -16.27 37.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 p -176.59 84.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -113.1 -13.35 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.0 t -90.12 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 144.42 42.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.3 p -132.61 115.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 149.47 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -25.39 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 73.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.75 165.42 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.701 0.286 . . . . 0.0 111.153 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.43 153.09 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -61.73 -18.22 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 t -90.66 -22.83 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -32.45 74.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -77.27 -19.77 56.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.43 -17.76 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 16.06 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.6 t -120.13 -32.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.36 -19.87 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.08 -25.2 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.13 -41.79 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.0 96.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.61 -38.94 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.07 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.16 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -77.7 -36.18 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 13.3 mt -107.05 60.9 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.736 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mm100 -127.17 35.7 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.69 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.2 m -155.98 74.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -60.59 -18.7 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -57.53 -19.92 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.51 -55.13 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.67 -40.58 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -70.9 -24.94 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -75.46 -29.77 59.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.5 mtm -89.41 -30.19 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.2 -36.16 1.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.89 108.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 131.76 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.87 -30.42 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -16.64 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -84.92 -30.7 24.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 16.5 m0 -49.91 -50.93 44.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -43.49 93.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.3 p -97.13 35.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -117.76 163.0 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 t -89.23 138.75 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -129.58 121.76 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.51 171.17 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.73 155.29 45.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -155.06 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -137.65 -169.26 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.95 2.47 51.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.24 -7.64 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.52 33.09 20.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.545 ' HG3' ' ND2' ' A' ' 98' ' ' ASN . 11.2 pt-20 -143.09 142.1 31.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -83.87 91.15 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.545 ' ND2' ' HG3' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -136.63 -169.29 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -111.04 60.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -178.5 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -49.99 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -124.62 121.84 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.0 ptm -115.84 130.26 56.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -85.03 139.65 31.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 17.1 t -97.08 100.99 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.68 150.5 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -95.44 -0.75 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.402 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.9 p90 -111.16 154.98 43.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.402 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.73 167.77 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.377 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.47 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.73 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.67 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.57 -81.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -112.68 91.57 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -160.83 148.93 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -174.7 134.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.97 60.03 8.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -171.04 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 15' ' ' GLU . 13.3 t -176.09 170.35 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.64 163.38 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 m95 62.74 16.67 9.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.3 mm-40 -135.53 -40.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.99 -36.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.03 -30.14 24.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.87 40.09 84.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -154.34 174.47 14.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -151.42 -175.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -135.23 127.03 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 100' ' ' SER . 48.1 t -136.48 147.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.2 160.5 29.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.7 mm -124.03 130.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.0 m -161.37 75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -121.51 -77.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -176.83 134.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.69 -56.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -126.42 -172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.24 -36.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.82 -46.33 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 29' ' ' ASP . 14.7 m -100.91 39.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.62 -42.13 43.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -14.45 61.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 HG22 ' A' ' 65' ' ' THR . 65.9 t -71.82 -19.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.65 3.18 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -120.19 -30.51 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -110.77 -43.85 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.95 -41.44 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.8 86.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.53 -0.98 15.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.44 136.04 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' HG13 ' A' ' 58' ' ' VAL . 34.7 m-85 -143.43 156.25 44.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.2 m -98.73 141.76 31.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.675 HG13 ' CE1' ' A' ' 54' ' ' PHE . 63.3 t -118.96 118.63 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -174.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 t -77.49 -57.01 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.75 90.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -140.86 163.35 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -109.01 157.92 18.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' HD1' ' A' ' 99' ' ' PHE . 10.3 t -64.9 -15.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.8 t -91.12 -24.02 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -32.46 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.675 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.4 m-85 -75.34 -19.26 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.52 -8.67 56.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.5 t -112.38 -14.39 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.66 -24.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 62' ' ' VAL . 94.3 t -89.14 -42.78 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -69.45 -23.65 63.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.35 -34.95 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 58' ' ' VAL . 86.4 t -55.66 -23.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 80' ' ' LEU . 75.0 t -78.62 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -26.38 57.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.653 HG22 HG12 ' A' ' 35' ' ' VAL . 74.3 m -76.31 -24.7 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.715 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.5 mp -119.39 56.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.719 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mt-30 -126.87 36.66 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG21 HD12 ' A' ' 72' ' ' LEU . 4.3 m -153.61 68.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -27.54 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.6 -27.47 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HG21 ' A' ' 69' ' ' VAL . 52.5 mt -86.08 -48.3 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.695 HD12 HD23 ' A' ' 80' ' ' LEU . 12.3 mt -51.38 -49.46 61.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -24.69 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -82.98 -24.01 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtm -92.6 -24.98 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.62 -16.46 5.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 98.5 mt -84.51 114.57 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.79 134.14 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.695 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.0 -29.52 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -23.7 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.66 -31.09 41.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.715 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 22.8 m0 -55.73 -38.8 70.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 p -73.39 -25.07 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.28 39.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.39 171.31 8.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.3 t -95.55 133.9 39.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.7 m-85 -119.2 95.18 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -86.2 105.24 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.0 mm? -80.05 111.9 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.98 172.77 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 -166.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.64 -2.7 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.752 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -107.89 -19.83 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.61 6.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.752 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -124.75 172.21 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.525 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.2 tt0 -84.94 81.55 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.92 158.51 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.633 ' HD1' HG22 ' A' ' 51' ' ' VAL . 12.8 p90 -120.52 58.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' VAL . 8.3 t -79.62 -169.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.79 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -140.8 121.04 13.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 24' ' ' ILE . 10.3 ptt? -125.57 132.42 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -79.14 155.07 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 p -111.24 97.04 6.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.52 140.26 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -80.66 -37.09 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -69.97 154.16 94.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.6 23.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 4' ' ' LYS . 39.7 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -48.84 102.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 47.09 -99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p -126.43 92.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.73 163.61 36.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -174.71 144.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.22 61.25 6.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.69 -56.34 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.81 -62.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -175.73 173.56 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -88.59 164.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 38.6 m95 61.71 17.59 8.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.53 -37.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.15 -34.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -49.73 -44.48 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.16 37.18 12.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.55 162.95 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.3 mptp? -136.68 -176.27 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -138.43 107.65 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.605 HG11 ' SD ' ' A' ' 103' ' ' MET . 8.8 p -119.18 153.35 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 135.62 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 103' ' ' MET . 3.7 mm -100.46 123.95 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 m -162.15 84.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -120.97 -76.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.1 pt-20 -175.57 131.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 27' ' ' GLU . 50.9 mt -150.19 -42.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.09 163.54 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.18 -20.33 11.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -24.99 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 m -129.91 39.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.98 -31.35 56.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -15.69 59.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 35' ' ' VAL . 15.9 t -78.96 -5.48 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -120.35 -0.07 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.63 -16.05 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -112.49 -51.93 2.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -50.15 -46.96 54.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.1 t -178.31 92.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.06 -2.78 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -100.41 140.64 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -147.03 145.07 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.46 150.21 24.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 54' ' ' PHE . 2.5 p -141.47 120.86 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.75 -20.91 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.57 10.94 32.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -69.7 169.39 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 111.154 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.97 155.23 29.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.99 -17.25 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -89.94 -23.58 21.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -27.5 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -81.8 -15.59 53.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.0 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 8.45 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 54' ' ' PHE . 8.8 p -117.16 -23.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 17.7 t -97.0 -24.91 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -67.26 -29.42 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -24.09 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.33 0.66 40.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 58' ' ' VAL . 18.4 m -109.97 -37.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 80' ' ' LEU . 98.4 t -55.29 -73.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -52.64 -39.14 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -63.53 -26.68 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.8 mp -122.24 60.08 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.85 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -153.4 66.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -25.05 55.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -29.65 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.07 -51.86 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -51.26 -50.98 58.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -24.34 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.35 -28.44 18.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.3 mtm -80.46 -22.94 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.73 0.5 8.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.494 HG21 HD23 ' A' ' 73' ' ' LEU . 97.4 mt -104.06 115.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.21 133.94 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.85 -24.57 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -23.34 47.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.5 -31.17 47.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -54.79 -38.02 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.02 -23.28 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -120.99 39.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -118.48 -176.79 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -114.73 135.08 54.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -123.74 109.99 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -86.87 119.34 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.8 mm? -84.73 88.85 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -86.09 -179.51 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.48 -167.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.48 0.61 32.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.35 -5.34 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.84 16.48 59.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.09 153.42 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 4.3 tt0 -90.86 72.67 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -127.13 -174.68 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.34 59.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -79.9 -171.61 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -37.1 44.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.605 ' SD ' HG11 ' A' ' 22' ' ' VAL . 8.6 mtp -124.64 99.85 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.33 163.79 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.03 82.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.37 141.99 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -97.13 53.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -174.82 154.71 1.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.722 0.772 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.2 Cg_endo -69.81 168.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.11 131.15 50.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.55 -99.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.2 t -142.69 27.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.07 166.63 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -171.56 135.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.3 75.81 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -108.48 -52.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -166.36 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 15' ' ' GLU . 12.9 t -175.99 170.94 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.11 164.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.5 m95 61.84 17.52 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 12' ' ' THR . 36.0 mt-10 -138.73 -38.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.62 -34.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -49.52 -43.47 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.57 37.0 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -154.71 168.54 26.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 -176.2 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.1 124.06 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.639 HG11 ' SD ' ' A' ' 103' ' ' MET . 98.9 t -144.2 141.21 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 24' ' ' ILE . 1.3 mtt180 -108.08 162.06 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.584 HD11 ' HE2' ' A' ' 103' ' ' MET . 15.2 mm -128.66 121.29 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -161.55 87.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -120.1 -76.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.06 110.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mp -123.41 -56.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.02 179.93 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.44 -27.84 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -46.38 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.34 40.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.32 -33.46 16.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -22.72 61.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 66' ' ' LEU . 37.5 t -67.47 -20.72 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -110.35 6.97 22.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -114.98 -21.11 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -116.7 -25.76 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -10.64 29.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -175.94 80.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -118.26 -29.97 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -86.77 138.46 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.46 159.28 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 139.52 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -119.7 119.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.4 t -82.56 -27.04 31.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.67 73.61 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.46 143.28 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.164 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 170.39 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.81 HG11 ' HB3' ' A' ' 97' ' ' GLU . 9.5 t -69.01 -13.66 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -93.03 -27.98 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -60.42 -27.32 67.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.5 m-85 -79.3 -20.74 47.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.449 ' N ' HD21 ' A' ' 90' ' ' LEU . . . -80.48 -17.15 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.05 -3.61 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -105.94 -26.07 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.6 t -84.38 -42.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -54.1 -26.89 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -95.12 -23.1 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.42 0.91 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 m -105.63 -32.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 80' ' ' LEU . 79.9 t -63.96 -75.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -37.48 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.598 ' O ' HD23 ' A' ' 66' ' ' LEU . 97.3 m -69.55 -29.67 67.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 36' ' ' LEU . 16.9 mt -124.22 61.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -126.88 36.45 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.8 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.629 2.22 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -152.72 61.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -13.48 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.96 -17.53 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -97.61 -36.16 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.6 mt -60.54 -32.07 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -17.23 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.48 -23.19 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptp -100.94 -25.68 14.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.56 -40.35 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.84 112.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.54 138.01 35.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.798 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.77 -31.07 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.33 66.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -75.41 -31.0 60.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' VAL . 23.8 m0 -52.71 -34.48 52.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -28.42 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.3 m -114.62 39.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.47 -174.06 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.446 HG21 ' CZ ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -126.83 109.11 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.9 m-85 -102.08 75.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 87' ' ' THR . 86.9 m-85 -56.84 141.52 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.2 mm? -98.65 160.64 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -168.28 171.58 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -118.25 -171.49 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -11.2 60.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.43 -5.36 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.12 31.24 29.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -124.25 135.11 53.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.81 ' HB3' HG11 ' A' ' 51' ' ' VAL . 1.8 mt-10 -79.77 82.68 5.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -129.39 166.39 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -77.23 60.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.86 156.07 20.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -28.9 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.34 127.01 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.639 ' SD ' HG11 ' A' ' 22' ' ' VAL . 1.8 mtp -124.34 109.3 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -79.83 125.13 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.526 ' SG ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -90.52 97.0 10.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.09 142.21 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -80.92 -5.98 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.0 p90 -110.29 154.54 42.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.97 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.5 Cg_endo -69.8 168.11 22.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.236 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -48.07 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.23 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.847 0.356 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -56.17 136.97 52.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.82 -31.15 16.16 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' VAL . 3.5 t -108.15 36.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.502 HG21 HG22 ' A' ' 16' ' ' VAL . 1.3 m -160.9 138.36 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -169.88 126.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.71 46.14 54.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' HG23 ' A' ' 7' ' ' THR . 6.6 mm-40 -90.04 -33.86 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.47 -68.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.608 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.9 t -167.28 172.67 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.86 163.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.0 m95 61.51 17.8 8.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -138.76 -39.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 12' ' ' THR . 10.0 p -123.68 -30.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.7 -51.44 49.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.68 33.07 7.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -146.01 162.3 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.2 mptp? -142.51 -176.46 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -135.13 106.26 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.533 HG21 ' SD ' ' A' ' 103' ' ' MET . 5.2 p -117.96 120.14 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 147.94 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.4 mm -104.64 138.23 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -160.99 77.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -120.7 -77.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.6 tt0 177.93 146.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -161.7 -56.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.69 173.54 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.38 -47.99 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -78.87 -31.6 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.488 ' CG2' HD23 ' A' ' 66' ' ' LEU . 4.6 m -121.53 39.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.9 -52.82 13.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -15.83 59.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.705 HG12 HG22 ' A' ' 65' ' ' THR . 87.5 t -70.99 -20.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -121.04 3.88 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -119.96 -23.54 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.11 -44.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -42.31 64.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.85 89.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -113.43 -2.49 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.9 138.9 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -146.5 144.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 141.84 56.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.628 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.1 p -135.29 109.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -179.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.35 -25.47 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.53 58.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.94 171.73 9.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -124.12 156.31 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 97' ' ' GLU . 7.4 t -60.26 -18.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -90.87 -28.62 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.07 -35.02 74.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.709 ' O ' HG22 ' A' ' 58' ' ' VAL . 4.7 m-85 -72.26 -21.68 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.08 -18.22 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 9.11 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -122.27 -28.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 54' ' ' PHE . 23.9 m -82.52 -40.46 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -66.88 -33.98 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.51 -63.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.16 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 58' ' ' VAL . 56.8 t -54.45 -25.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ALA . 74.5 t -78.03 -68.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -25.26 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 HG12 ' A' ' 35' ' ' VAL . 63.7 m -77.57 -32.51 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.2 mp -109.86 56.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.708 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -126.74 36.77 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.74 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 72' ' ' LEU . 4.9 m -153.38 67.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -24.56 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -55.91 -23.79 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 69' ' ' VAL . 69.3 mt -92.97 -45.88 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 80' ' ' LEU . 11.2 mt -53.25 -36.79 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -24.94 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -22.44 58.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.2 mtm -99.09 -27.45 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.27 -33.76 2.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.91 110.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.09 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.91 135.0 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.79 -25.17 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -21.76 53.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -81.84 -31.34 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.698 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -54.65 -34.7 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.39 -23.82 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.8 m -119.83 39.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.1 -174.6 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -115.58 101.51 8.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -91.83 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -90.38 122.3 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.5 mm? -85.76 165.7 16.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -167.4 169.19 12.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.6 -168.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -76.36 -11.05 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.25 4.16 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.24 32.92 59.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -132.71 160.42 36.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -81.41 85.6 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.93 169.38 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -118.05 60.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.11 -167.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -32.12 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -131.5 178.36 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -157.13 146.64 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -114.17 133.78 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.5 p -113.19 101.6 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.21 146.68 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.84 -10.39 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.11 155.02 43.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.82 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 7' ' ' THR . 30.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -57.23 -171.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.24 -84.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.28 80.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -156.02 168.48 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -149.87 -171.32 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.47 100.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HB2' HG11 ' A' ' 16' ' ' VAL . 6.4 mm-40 -114.21 -17.35 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -167.48 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.8 176.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.15 163.16 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 m95 61.23 17.84 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -142.22 -37.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -122.09 -34.27 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -50.2 -43.79 52.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.98 36.59 12.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -154.22 164.98 37.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.95 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -138.62 -177.11 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -134.18 108.19 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' SER . 3.9 p -115.64 117.73 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -94.66 157.16 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 103' ' ' MET . 5.1 mp -127.42 136.76 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -161.43 80.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -120.1 -76.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 178.5 135.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' SG ' ' A' ' 105' ' ' CYS . 0.3 OUTLIER -144.04 -56.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' CG ' HG23 ' A' ' 32' ' ' VAL . 2.9 m-20 -125.62 -174.0 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 -31.93 4.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.751 ' HG3' HG13 ' A' ' 32' ' ' VAL . 15.7 ptm180 -110.92 -34.74 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 31' ' ' ARG . 32.7 m -106.0 39.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.653 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -86.46 -49.47 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -55.29 -23.3 22.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' A' ' 34' ' ' LYS . 55.1 t -69.45 -23.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.23 -8.82 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.89 -30.18 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -12.64 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.0 p 179.87 85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -22.97 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.06 142.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE1' HD13 ' A' ' 24' ' ' ILE . 8.5 m-85 -141.75 163.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 141.91 44.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 20' ' ' LYS . 3.1 p -134.13 118.26 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -179.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -0.18 50.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.92 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.7 161.68 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -114.71 156.68 24.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -62.23 -17.12 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.3 t -89.82 -23.93 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -29.55 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 7.4 m-85 -78.54 -16.2 57.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.84 -3.43 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 2.83 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -117.35 -26.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.5 t -97.55 -2.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.99 -22.1 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.45 -49.94 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.11 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.39 -48.73 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.739 HG13 HD11 ' A' ' 80' ' ' LEU . 62.8 t -47.94 -43.02 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -51.63 -50.23 60.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.1 p -87.51 0.51 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 32' ' ' VAL . 3.9 mm? -122.9 29.93 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.84 36.23 0.33 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 -49.12 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.442 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.1 m -148.4 62.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 p -70.09 -10.63 59.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -66.14 -13.39 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 69' ' ' VAL . 2.5 pp -104.65 -23.31 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 72' ' ' LEU . 11.8 mt -77.86 -25.36 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -17.89 64.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.47 -6.51 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mtm -95.39 -26.17 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.01 16.9 4.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.9 mt -129.79 108.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 129.69 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HG13 ' A' ' 63' ' ' VAL . 2.9 tm? -90.21 -30.87 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -23.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.1 pt-20 -76.16 -30.63 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -52.11 -42.59 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 m -68.58 -35.19 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.6 m -106.18 38.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 107' ' ' PHE . . . -127.44 166.97 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 t -96.34 134.6 39.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.37 100.06 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.32 144.15 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.11 130.59 52.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.23 168.89 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.79 -166.89 1.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.92 -1.67 40.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.703 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -116.07 -26.69 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.3 28.97 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.703 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.9 OUTLIER -124.31 156.92 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.55 81.4 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -119.46 169.58 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -120.1 48.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -79.36 -169.74 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -51.79 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -93.45 140.27 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.587 ' O ' HG23 ' A' ' 24' ' ' ILE . 6.8 ttp -145.23 110.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -79.1 138.88 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 28' ' ' LEU . 9.4 p -103.84 104.73 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -108.76 143.55 37.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' HB1' ' A' ' 86' ' ' ALA . 3.2 t80 -82.95 -36.77 24.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 35.5 p90 -71.53 154.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.738 0.78 . . . . 0.0 110.879 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.3 Cg_endo -69.77 167.56 24.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.77 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -76.52 143.38 40.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 6' ' ' VAL . 7.2 p -167.99 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.147 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -71.65 170.64 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -174.43 134.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.84 66.57 2.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 7' ' ' THR . 6.3 mm-40 -105.95 -60.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.97 -64.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.8 t -169.83 173.6 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.55 162.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.9 m95 61.81 17.5 8.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.8 mm-40 -136.82 -39.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 12' ' ' THR . 12.7 p -124.71 -32.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.12 -38.2 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.47 34.34 45.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -153.77 163.34 40.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -133.79 -175.42 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -145.15 107.42 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG21 ' CE ' ' A' ' 103' ' ' MET . 10.2 p -115.84 152.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 42' ' ' VAL . 2.1 mpt_? -134.56 156.72 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.65 130.08 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -160.72 70.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -120.12 -76.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.46 137.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 88' ' ' PHE . 1.3 tp -146.81 -54.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.05 164.1 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.02 -22.78 12.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -24.41 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.01 55.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.44 -48.26 7.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.03 -21.02 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG23 ' HD3' ' A' ' 34' ' ' LYS . 95.8 t -61.87 -21.93 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -115.85 6.1 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -21.24 9.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -118.96 -26.94 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HB3' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -91.45 -20.02 22.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.86 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -16.09 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.485 HG23 ' HD2' ' A' ' 23' ' ' ARG . 2.3 p -105.69 142.12 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.01 139.95 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' LYS . 94.7 m -116.22 130.13 56.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.672 HG11 ' CE1' ' A' ' 54' ' ' PHE . 2.9 m -118.96 163.18 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.13 -169.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -24.49 38.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.12 87.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -137.08 145.52 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.21 168.36 9.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -69.32 -14.45 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -91.94 -26.52 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -63.4 -34.12 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 45' ' ' VAL . 8.4 m-85 -70.68 -21.84 62.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.24 -6.87 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.3 5.57 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -120.29 -9.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 58' ' ' VAL . 16.2 t -115.82 -3.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.71 -20.71 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -102.8 -40.57 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.5 83.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.0 m -54.14 -42.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 78.9 t -57.35 -47.92 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -51.23 -34.93 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 39' ' ' LYS . 6.2 m -89.7 -21.62 22.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -104.89 49.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.724 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.1 mm-40 -127.01 35.95 0.31 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.724 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.76 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.623 2.215 . . . . 0.0 112.398 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 68' ' ' PRO . 1.5 m -157.05 62.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -13.79 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.25 -17.22 57.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -96.61 -36.24 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 72' ' ' LEU . 25.2 mt -60.18 -33.09 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -18.37 62.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -76.48 -23.84 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.2 ptp -100.73 -25.93 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.64 -33.86 2.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.74 106.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.6 130.37 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 2.8 tm? -91.01 -31.19 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -14.06 61.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.4 pt-20 -86.92 -30.12 21.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 26.5 m0 -50.04 -51.32 43.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -44.12 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.2 35.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.86 -176.64 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.1 m -111.84 89.03 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 m-85 -84.63 120.66 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -99.62 161.97 13.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.0 OUTLIER -136.67 147.32 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.52 -178.77 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.44 179.34 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -71.98 -17.34 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.36 -1.58 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.63 35.26 11.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -127.56 145.79 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.96 75.28 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.07 174.85 6.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -119.37 56.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -79.74 -168.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -31.96 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -124.46 139.35 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.627 ' CE ' HG21 ' A' ' 22' ' ' VAL . 5.5 ttp -140.3 111.52 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -79.74 123.41 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.6 t -90.4 101.34 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.85 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -95.87 18.46 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.414 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.4 p90 -135.66 155.06 78.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.716 0.77 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.4 Cg_endo -69.81 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.44 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -57.16 151.33 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.88 -45.94 31.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.86 55.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 10' ' ' GLU . 7.1 m -161.98 145.3 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -172.27 126.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.62 46.3 38.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.643 ' HG3' HG23 ' A' ' 7' ' ' THR . 5.0 mm-40 -87.38 -34.93 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.63 -68.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.621 ' O ' HG12 ' A' ' 16' ' ' VAL . 3.5 t -176.86 142.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.67 158.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.0 m95 63.72 12.27 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.555 ' HB2' HG23 ' A' ' 12' ' ' THR . 13.5 mt-10 -152.46 11.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 12' ' ' THR . 9.3 p -157.58 -34.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -23.34 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.54 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -158.02 164.85 36.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.811 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -141.89 -179.97 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -131.55 125.73 33.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 103' ' ' MET . 99.3 t -126.16 144.67 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 155.03 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.3 mm -116.23 136.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -159.54 67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -120.75 -77.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 177.24 150.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -159.47 -54.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -140.5 176.31 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.98 -46.71 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -26.79 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' HD23 ' A' ' 66' ' ' LEU . 34.8 m -131.43 39.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.56 -58.43 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -20.81 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.87 -20.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -117.99 9.1 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -120.5 -25.13 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.58 -23.17 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -100.99 -6.16 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.28 84.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -125.76 -36.62 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.42 135.61 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -142.42 149.76 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.2 147.82 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.0 p -140.07 113.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 169.9 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -77.88 -6.83 55.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.21 -19.82 7.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.58 140.25 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.51 169.23 9.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -69.0 -12.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -94.68 -27.48 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 57' ' ' VAL . 4.3 tt0 -61.03 -37.73 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.38 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.7 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.27 12.62 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 53' ' ' GLU . 98.2 t -120.23 -31.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -94.26 -4.16 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -111.04 0.21 16.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -36.44 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.95 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -64.53 -32.52 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 80' ' ' LEU . 93.1 t -58.21 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -30.2 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.0 m -74.67 -24.31 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 36' ' ' LEU . 6.5 mp -120.93 54.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.72 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.3 mt-30 -127.05 36.67 0.35 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.456 ' HB ' HD23 ' A' ' 72' ' ' LEU . 4.1 m -153.54 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -8.23 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.61 -14.57 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.607 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -100.31 -24.68 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 72' ' ' LEU . 10.4 mt -76.54 -28.68 56.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -22.89 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -99.53 -20.34 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.62 -26.66 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.43 17.28 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.7 mt -129.19 112.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.96 135.23 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.71 -34.02 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -23.57 65.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 85' ' ' VAL . 7.1 pt-20 -78.02 -30.25 49.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.64 -27.26 38.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -25.64 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.2 m -116.97 40.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.09 -179.94 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 m -104.34 101.7 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.1 m-85 -95.15 127.87 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.16 171.67 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.2 mp -141.53 166.47 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -161.74 179.32 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.67 177.83 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.03 -14.18 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.82 5.53 45.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.94 30.67 67.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -131.32 155.23 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.66 86.84 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -128.51 172.37 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -117.08 54.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.9 -165.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.71 -54.75 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -126.01 157.25 38.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.549 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.4 ptm -147.1 135.24 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -79.82 138.2 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 39.6 t -103.98 100.89 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.79 148.99 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.79 -1.63 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.43 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.1 p90 -113.27 155.03 45.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.744 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.75 167.83 23.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.14 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.81 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm 41.61 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.35 87.62 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.9 t 55.78 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 m -161.0 150.16 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -162.21 145.97 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.4 58.36 13.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -112.06 -56.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -131.87 -67.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -175.42 175.15 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -90.4 164.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 37.3 m95 61.84 17.36 8.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -138.37 -37.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.85 -35.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -49.85 -44.83 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.78 36.78 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -151.53 166.88 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 -176.11 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -137.25 104.4 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 103' ' ' MET . 11.3 p -112.44 151.57 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.3 158.07 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.418 HG13 HG11 ' A' ' 58' ' ' VAL . 49.7 mm -118.48 127.82 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -120.29 -76.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD22 ' A' ' 28' ' ' LEU . 1.7 mt-10 179.0 129.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -143.44 -57.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.521 ' OD1' HD13 ' A' ' 78' ' ' ILE . 50.0 m-20 -130.8 173.01 11.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.64 -47.71 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -76.54 -18.47 58.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.09 43.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.95 -58.33 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -12.99 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 39' ' ' LYS . 52.8 t -69.81 -16.7 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 28' ' ' LEU . 2.2 pp -120.64 2.43 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -25.83 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -113.13 -45.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -51.71 -48.76 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.92 83.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.16 -0.21 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.86 142.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 73.4 m-85 -149.12 159.18 44.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.5 136.1 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 54' ' ' PHE . 94.9 t -116.88 120.35 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -172.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.2 t -82.85 -37.03 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.1 84.5 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.09 164.9 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.08 155.58 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG22 ' HD1' ' A' ' 99' ' ' PHE . 14.1 t -61.46 -17.68 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.7 t -90.24 -22.61 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.9 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.8 m-85 -85.84 -14.6 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.56 -13.3 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.26 -5.45 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 54' ' ' PHE . 5.0 p -108.52 -26.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 42.4 t -95.01 -15.02 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.08 0.29 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.07 -33.92 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.17 0.64 40.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.72 -35.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 80' ' ' LEU . 97.7 t -60.75 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -55.65 -24.78 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.7 m -83.79 -24.98 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 1.7 mm? -113.92 50.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.733 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -127.08 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.966 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.71 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.5 m -154.36 66.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' LEU . 1.4 p -70.92 -10.51 59.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -67.74 -12.98 61.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 72' ' ' LEU . 2.2 pp -108.91 -6.62 15.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' SER . 16.4 mt -96.93 -21.02 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.83 0.26 40.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 0.72 17.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 7.6 ptp -116.79 -26.21 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.25 1.4 5.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.521 HD13 ' OD1' ' A' ' 29' ' ' ASP . 68.8 mt -105.43 104.88 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.63 135.28 36.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -91.03 -34.1 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -22.23 65.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.0 pt-20 -79.07 -30.53 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -51.82 -40.46 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 p -71.36 -34.54 70.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.0 m -107.77 39.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.38 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -95.41 109.32 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.54 125.55 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -116.65 153.51 32.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.7 142.87 46.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.49 -178.87 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.51 -168.56 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -15.98 55.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.62 2.26 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.1 30.1 51.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -129.1 161.1 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 84.21 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -124.2 164.3 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HD1' HG22 ' A' ' 51' ' ' VAL . 11.4 p90 -120.01 58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.88 -169.73 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -34.44 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -122.19 148.5 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 2.0 mtt -140.61 140.27 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -105.08 115.11 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.5 t -85.76 98.54 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.85 153.49 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.65 37.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.429 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.7 p90 -159.49 155.02 22.42 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.716 0.77 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.81 167.65 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.88 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 4' ' ' LYS . 34.7 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.904 0.383 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.723 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -54.31 145.72 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.56 -99.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.6 t -149.89 24.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.461 ' O ' HG21 ' A' ' 3' ' ' ILE . 5.6 m -72.8 157.75 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.65 133.11 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 62.04 3.86 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.94 -47.88 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.68 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.593 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.2 t -167.92 171.08 10.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.01 163.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.6 m95 61.62 17.91 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 mt-10 -138.27 -39.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 12' ' ' THR . 10.1 p -124.16 -30.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.4 -41.12 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.6 31.99 43.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -151.08 158.01 43.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.927 0.394 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.815 ' HB2' HG13 ' A' ' 45' ' ' VAL . 2.4 mptp? -132.86 166.38 22.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -127.44 108.47 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 ' SD ' ' A' ' 103' ' ' MET . 12.0 p -108.04 146.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' HD2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -128.18 164.2 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -125.06 146.62 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -154.16 34.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.13 -73.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 176.61 169.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.644 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -171.97 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.66 -177.29 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -118.44 -34.77 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -23.29 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 HD23 ' A' ' 66' ' ' LEU . 6.5 m -129.4 40.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -71.17 -51.45 24.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -15.47 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 65' ' ' THR . 59.0 t -63.87 -16.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.18 -2.28 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.83 -26.37 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.79 -32.35 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.51 -23.74 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -177.13 86.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -17.24 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 23' ' ' ARG . 22.0 t -81.39 142.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 97.8 m-85 -151.27 135.47 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.47 151.5 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 20' ' ' LYS . 1.8 p -151.66 111.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 176.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 t -81.01 -20.3 42.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.45 72.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -135.78 169.24 17.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.152 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.64 156.4 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 97' ' ' GLU . 15.4 t -62.84 -16.39 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -91.07 -23.5 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -67.47 -31.06 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -76.61 -18.73 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.77 -20.17 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 8.7 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 53' ' ' GLU . 87.9 t -120.02 -31.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 21.5 t -92.56 -17.28 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.36 -19.79 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.11 -27.81 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.3 0.33 42.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 58' ' ' VAL . 11.7 m -103.45 -35.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.01 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -36.93 63.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 35' ' ' VAL . 61.3 m -71.53 -24.01 61.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 32' ' ' VAL . 7.3 mp -119.28 61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.1 mm-40 -126.76 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG21 HD12 ' A' ' 72' ' ' LEU . 3.6 m -154.65 65.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -27.3 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.94 -23.84 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 HG21 ' A' ' 69' ' ' VAL . 47.7 mt -91.54 -48.42 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -52.22 -44.34 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -55.25 -25.56 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -19.19 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtm -94.28 23.26 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.18 36.51 63.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG21 HD23 ' A' ' 73' ' ' LEU . 85.3 mt -142.56 113.01 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.81 142.67 33.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.688 HD21 ' HG2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -90.82 -31.7 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -22.49 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.16 -30.91 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.401 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 28.5 m0 -56.75 -32.92 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -80.2 -19.38 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.56 39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.53 -178.09 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -117.41 102.81 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.15 104.44 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -90.11 123.72 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.4 mm? -99.32 103.65 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.59 -177.63 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.06 -173.21 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.74 -15.77 58.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.89 0.02 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.73 34.14 28.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -128.12 165.21 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 51' ' ' VAL . 7.3 tt0 -102.03 61.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.85 -175.84 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -114.62 62.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 t -77.27 -165.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -46.01 -45.89 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.85 178.19 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 22' ' ' VAL . 1.4 mtt -147.75 156.62 42.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.62 120.4 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 104.72 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.07 115.91 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -64.61 -15.3 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.8 p90 -107.97 155.06 40.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.9 Cg_endo -69.74 167.56 24.07 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -55.69 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 3' ' ' ILE . 8.5 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.13 3.98 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.75 -75.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 7' ' ' THR . 2.9 t -80.24 161.94 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 67.61 145.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -153.45 129.03 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.64 53.3 2.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -96.94 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -70.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 16' ' ' VAL . 13.2 t -175.79 176.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.65 161.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.9 m95 61.9 17.32 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.94 -51.26 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -102.2 -24.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' ILE . 9.3 pt20 -60.11 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.9 40.59 63.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -153.81 170.74 20.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.1 mptp? -150.41 -177.2 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.07 119.68 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 103' ' ' MET . 95.8 t -121.71 127.18 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.753 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -103.04 155.22 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 23' ' ' ARG . 7.9 mm -128.52 122.14 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -161.37 86.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -120.97 -79.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER 176.5 123.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD21 ' HE2' ' A' ' 88' ' ' PHE . 2.1 mp -133.61 -56.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' HD13 ' A' ' 78' ' ' ILE . 0.9 OUTLIER -126.65 -175.99 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.16 -41.63 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.94 -35.02 11.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 66' ' ' LEU . 11.5 m -114.37 51.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.77 -36.71 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -23.02 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 66' ' ' LEU . 99.3 t -67.7 -23.16 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.43 9.22 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -120.66 -30.5 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.17 -21.05 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -6.31 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -179.3 84.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 -37.88 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.74 135.3 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.44 156.0 45.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.5 p -146.1 134.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.1 pt-20 -71.03 -175.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 0.08 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.38 71.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -136.39 156.86 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.499 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.09 155.17 25.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 97' ' ' GLU . 14.8 t -62.46 -16.71 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -91.24 -24.36 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 49' ' ' THR . 10.7 m-85 -71.36 -23.26 61.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -19.8 62.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.72 13.22 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.15 -41.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.0 t -79.98 -22.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -69.19 -34.11 74.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' OE2' ' HB3' ' A' ' 59' ' ' ALA . 2.6 mm-40 -97.25 -37.79 9.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.18 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 58' ' ' VAL . 59.0 t -87.8 -28.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 80' ' ' LEU . 94.0 t -69.7 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -57.93 -21.13 42.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -92.47 -22.52 19.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 32' ' ' VAL . 11.1 tp -116.76 63.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 5.4 mm-40 -126.97 36.33 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -159.03 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -11.2 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.82 -13.71 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.4 pp -100.79 -14.73 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 72' ' ' LEU . 6.9 mt -90.63 -22.97 20.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -10.26 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -93.53 -12.51 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 78' ' ' ILE . 4.1 ptp -106.47 -19.98 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.46 -26.98 5.1 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.591 HD12 ' SD ' ' A' ' 76' ' ' MET . 95.6 mt -69.16 106.73 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.69 131.62 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 80' ' ' LEU . 2.0 tm? -90.29 -31.82 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -22.27 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.4 pt-20 -78.57 -30.82 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CZ3' HD23 ' A' ' 66' ' ' LEU . 28.2 m0 -54.13 -34.81 61.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -27.98 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.7 m -114.38 39.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.37 -169.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -123.51 97.84 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HE2' HD21 ' A' ' 28' ' ' LEU . 4.9 m-85 -95.59 108.93 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -90.42 134.3 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.4 mm? -88.96 152.07 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -153.5 174.31 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.95 -178.89 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.81 -12.64 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.17 47.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.02 30.64 65.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -128.84 158.09 39.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' VAL . 3.9 mt-10 -80.44 86.04 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.26 166.4 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -115.85 60.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.27 -167.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.6 -29.76 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -150.62 134.0 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.7 ptt? -127.25 132.52 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -79.92 148.2 31.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.3 p -116.54 98.29 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.76 150.19 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -57.22 4.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.406 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -52.39 154.88 4.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.69 0.757 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.24 . . . . 0.0 112.374 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.43 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.91 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.887 0.375 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -72.92 -5.18 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.74 -53.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 7' ' ' THR . 3.1 t -111.86 161.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.414 ' N ' HG12 ' A' ' 6' ' ' VAL . 33.0 m 65.5 149.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -163.49 137.81 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.9 59.6 6.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -112.24 -34.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.66 -65.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 15' ' ' GLU . 14.3 t -175.7 174.94 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.3 t -95.08 164.23 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.422 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.4 m95 63.11 16.46 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' ' 12' ' ' THR . 35.8 mm-40 -137.24 -41.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.85 -36.95 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.75 -30.31 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.38 78.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -154.77 174.79 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.4 mptp? -149.19 -176.09 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -140.55 92.95 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG21 ' HG2' ' A' ' 103' ' ' MET . 12.0 p -105.55 137.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.08 152.76 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 mm -113.65 136.72 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 100.0 m -161.76 82.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -120.09 -81.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 174.54 138.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 27' ' ' GLU . 2.1 mm? -137.64 -58.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD2' HG23 ' A' ' 32' ' ' VAL . 44.0 t0 -132.35 152.33 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.57 -20.53 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 -22.2 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 32' ' ' VAL . 47.2 t -115.87 60.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.22 -29.7 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -13.56 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 66' ' ' LEU . 61.8 t -74.31 -23.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -110.41 7.95 23.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -110.1 -33.89 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.79 -43.33 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -13.97 61.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HB2' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER 178.7 94.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 p -139.76 -41.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.83 132.14 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -141.25 149.59 41.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 152.43 21.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.4 p -147.98 133.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 pt-20 -70.08 -175.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -0.04 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.85 72.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.54 155.42 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.92 156.88 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.86 -17.21 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -89.87 -23.5 21.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -31.71 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' HA ' HG12 ' A' ' 57' ' ' VAL . 9.8 m-85 -75.42 -18.12 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.46 -6.79 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 -16.36 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -99.74 -21.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 95.8 t -86.28 -23.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.37 -14.23 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.83 0.33 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.14 -51.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.492 HG13 HD13 ' A' ' 66' ' ' LEU . 63.9 t -53.7 -45.43 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.624 HG13 ' CD1' ' A' ' 80' ' ' LEU . 59.4 t -59.7 -42.37 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.95 -50.16 74.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.718 HG21 ' HB2' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -66.73 -44.09 82.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 36' ' ' LEU . 7.9 mp -82.88 54.36 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.732 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mm100 -126.67 36.34 0.33 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.79 -49.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -158.98 67.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -61.33 -18.03 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -22.59 54.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.0 pp -97.75 -38.1 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.711 HD23 HG21 ' A' ' 78' ' ' ILE . 10.3 mp -53.99 -38.08 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -23.25 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -77.73 -29.87 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 ptp -89.53 -27.29 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.72 -42.7 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 73' ' ' LEU . 88.5 mt -55.58 130.04 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.42 120.07 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.624 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -71.34 -12.15 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -22.01 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 85' ' ' VAL . 13.7 pt-20 -88.85 -26.22 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.702 ' CH2' HD12 ' A' ' 28' ' ' LEU . 6.4 m0 -56.65 -36.98 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -75.34 -28.55 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.5 m -112.54 39.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.56 -179.72 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' CE2' ' A' ' 89' ' ' TYR . 3.2 m -105.09 96.42 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.41 143.71 26.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 87' ' ' THR . 91.6 m-85 -129.42 170.28 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.72 167.97 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -164.07 -178.23 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.67 -178.94 6.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.15 -11.19 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.63 5.35 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.65 62.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -129.55 155.23 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.8 tt0 -90.52 70.52 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -114.24 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -120.12 59.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.67 -169.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 m -51.94 -29.15 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -148.52 133.65 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.582 ' HG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -136.01 131.51 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -79.82 132.97 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.8 t -101.46 103.34 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.19 169.9 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -107.76 0.63 22.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.437 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.0 p90 -113.16 155.18 44.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.34 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.75 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 7' ' ' THR . 2.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.504 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.3 ptmt -64.79 -10.94 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -82.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.41 59.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.743 HG21 ' CG2' ' A' ' 16' ' ' VAL . 18.8 m -162.26 145.96 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -174.89 126.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.47 34.35 19.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 7' ' ' THR . 16.8 mm-40 -82.32 -49.93 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.0 -68.26 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.56 ' O ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -176.13 178.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.81 162.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.4 m95 61.76 18.09 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.36 -40.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.743 ' CG2' HG21 ' A' ' 7' ' ' THR . 13.7 p -125.53 -31.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -49.92 -47.25 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.45 35.91 10.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 44' ' ' THR . 6.5 m-85 -153.12 164.52 37.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.47 -175.68 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.05 107.43 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 103' ' ' MET . 7.6 p -109.91 130.26 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 153.01 24.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.56 135.03 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.48 79.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -120.65 -79.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER 175.45 145.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -152.31 -55.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.01 -179.73 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.76 -44.17 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -89.83 -31.37 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 m -117.98 49.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.19 -44.01 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.61 -22.09 63.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' HD3' ' A' ' 34' ' ' LYS . 90.4 t -60.44 -17.99 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 66' ' ' LEU . 1.5 pp -120.7 3.8 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.16 -6.27 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.89 -37.49 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 23.43 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 48.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 p -109.1 -33.77 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.15 137.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -142.07 161.56 37.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.539 HG22 ' HD1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -109.16 155.8 20.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.6 p -151.27 127.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.05 -24.8 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.8 83.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -139.99 166.63 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.42 156.28 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.5 t -62.07 -17.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.5 t -90.41 -24.78 20.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.588 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.2 m-85 -75.62 -18.87 59.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.18 -3.88 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.23 -7.7 11.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.0 p -104.53 -23.34 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' PHE . 56.7 t -89.95 -21.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.42 -28.79 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.65 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.89 1.57 53.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -110.13 -19.73 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 46.7 t -74.73 1.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.65 -18.71 13.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -112.7 -24.91 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 36' ' ' LEU . 3.5 mm? -107.09 34.28 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.721 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -125.61 37.11 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 72' ' ' LEU . 6.3 m -148.34 70.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -55.53 -29.8 59.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -17.07 58.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 HG21 ' A' ' 69' ' ' VAL . 38.6 mt -101.55 -36.12 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.96 -40.2 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 m -53.99 -33.89 58.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.49 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -93.73 17.91 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.56 33.7 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG23 ' CZ2' ' A' ' 83' ' ' TRP . 4.3 mt -137.68 111.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.33 129.73 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 1.4 tm? -82.91 -27.0 30.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -23.26 45.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.8 pt-20 -88.14 -30.18 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 78' ' ' ILE . 18.8 m0 -58.82 -25.74 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -87.38 -24.47 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.2 m -116.17 39.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.5 179.52 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -105.34 96.79 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.97 109.77 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -91.92 161.61 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.3 mp -140.25 136.37 33.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.2 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 -167.29 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.27 0.16 38.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.12 1.13 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.4 32.92 18.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -121.23 148.53 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.585 ' HG2' HG11 ' A' ' 51' ' ' VAL . 2.9 tt0 -80.96 74.94 7.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -122.54 -177.23 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -118.94 60.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.6 p -79.83 175.17 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -39.06 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -126.24 116.79 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -130.17 129.24 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -79.74 128.94 34.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.3 t -99.66 104.66 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.75 167.43 9.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -42.64 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -66.95 154.39 92.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.713 0.768 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.81 23.27 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.08 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.607 HG21 ' O ' ' A' ' 7' ' ' THR . 30.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.56 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.33 -78.94 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.55 86.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.607 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -157.3 147.39 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -174.52 130.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.16 59.07 8.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB2' HG11 ' A' ' 16' ' ' VAL . 4.0 mm-40 -98.73 -37.84 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -170.95 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.0 t -165.62 174.16 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.26 163.46 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 m95 61.42 17.9 8.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -138.87 -39.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -124.28 -30.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.71 -45.67 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.47 35.62 11.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -153.74 161.23 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -136.51 -176.04 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -135.86 105.49 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 103' ' ' MET . 4.9 p -112.58 133.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -100.41 166.78 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 103' ' ' MET . 5.0 mt -143.51 141.74 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' THR . 5.9 t -178.99 93.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -121.83 -74.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.627 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 174.5 114.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 27' ' ' GLU . 5.6 mp -130.11 -58.19 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.83 -179.29 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 -33.21 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -103.37 -34.95 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.0 m -116.67 40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -87.99 -34.02 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -65.77 -18.54 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 39' ' ' LYS . 91.9 t -62.85 -21.03 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.1 pp -120.79 7.59 10.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -13.06 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.96 -57.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -90.85 16.43 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.55 57.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -31.04 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.15 143.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.67 168.97 18.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 144.1 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.16 122.07 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -91.32 -0.0 57.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.77 69.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.15 148.35 49.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.137 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.04 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.3 t -70.11 -15.15 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -91.09 -26.94 18.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -64.07 -34.51 78.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.1 m-85 -69.02 -23.51 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.59 -6.81 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.13 -14.05 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -103.78 -22.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 54' ' ' PHE . 44.7 t -94.72 -16.25 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.68 0.2 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -112.42 -33.39 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.79 -42.92 26.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.5 m -53.27 -43.23 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.789 HG13 HD11 ' A' ' 80' ' ' LEU . 76.6 t -56.06 -47.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -50.95 -57.02 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.595 HG21 ' HG3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -65.12 -28.43 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -98.39 47.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.728 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.6 mm100 -126.82 36.44 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.74 -49.63 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.679 HG21 HD12 ' A' ' 72' ' ' LEU . 3.2 m -154.87 65.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -25.13 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -57.97 -22.69 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 69' ' ' VAL . 85.1 mt -87.86 -46.71 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.582 HD23 ' CE ' ' A' ' 76' ' ' MET . 12.7 mt -51.82 -46.03 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -30.28 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -20.27 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.582 ' CE ' HD23 ' A' ' 73' ' ' LEU . 77.1 mtm -94.01 19.59 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.68 37.53 84.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.0 mt -142.97 110.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 129.34 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.789 HD11 HG13 ' A' ' 63' ' ' VAL . 1.7 tm? -89.69 -31.8 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -22.14 61.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.2 pt-20 -78.51 -30.75 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.699 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -50.24 -52.6 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -43.44 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.63 35.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.51 -173.81 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -110.71 100.92 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.57 126.37 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -109.27 137.9 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.9 mm? -99.23 147.84 24.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -156.25 -178.71 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -146.59 -175.31 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.45 -6.41 46.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.2 4.24 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.12 34.61 86.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.28 157.83 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.1 tt0 -91.18 80.59 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -127.47 -179.72 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -114.67 59.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.31 -168.73 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.61 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.49 133.59 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 24' ' ' ILE . 12.2 ttp -128.89 106.92 9.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.44 161.23 26.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.6 94.63 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 145.52 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -86.22 -2.66 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.427 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -112.98 154.93 44.85 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.735 0.778 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -49.52 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 7' ' ' THR . 18.3 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.896 0.379 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.42 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 92.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t 52.99 91.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.716 ' O ' HG21 ' A' ' 3' ' ' ILE . 33.0 m -162.67 153.11 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -163.0 127.56 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.88 72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 16' ' ' VAL . 18.2 mm-40 -110.0 -27.59 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -171.42 -63.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -175.93 179.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.38 163.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.1 m95 61.47 17.45 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.73 -37.38 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -121.53 -34.71 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.94 -42.55 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.8 17.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -156.09 177.64 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 0.0 110.948 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -175.97 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -145.07 107.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.59 141.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -127.09 149.04 50.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -105.91 127.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -161.38 81.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -121.11 -76.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.3 pt-20 -176.67 137.32 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -157.67 -56.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.95 171.76 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.37 -28.37 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 -41.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.4 m -110.76 39.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -83.5 -45.74 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -24.01 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.17 -18.22 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.2 pp -118.6 8.28 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -117.73 -20.8 8.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.32 -33.32 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -34.79 77.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 86.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 -18.04 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.35 142.01 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 168.83 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.28 135.18 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.88 121.44 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 t -86.63 -0.01 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.65 67.23 0.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 111.118 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.87 170.06 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 97' ' ' GLU . 6.3 t -67.73 -13.85 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -92.88 -28.41 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.8 tt0 -60.24 -34.99 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HA ' HG12 ' A' ' 57' ' ' VAL . 11.4 m-85 -68.98 -27.35 65.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.29 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -17.22 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.5 p -100.33 -17.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.4 t -89.19 -24.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.28 -17.68 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -101.24 0.52 37.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.01 1.15 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 58' ' ' VAL . 17.6 m -109.63 -39.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 80' ' ' LEU . 85.5 t -68.26 -67.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -27.8 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 HD12 ' A' ' 66' ' ' LEU . 95.1 m -77.83 -33.93 52.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 32' ' ' VAL . 8.7 mp -110.81 65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.703 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.9 mm-40 -126.75 36.84 0.35 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.3 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -152.49 67.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -22.2 59.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.09 -23.49 47.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.86 -46.46 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD23 HG21 ' A' ' 78' ' ' ILE . 7.0 mp -55.5 -33.81 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.484 HG23 ' OD1' ' A' ' 79' ' ' ASP . 47.9 m -63.13 -20.54 65.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -103.99 -15.84 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.6 mtm -91.62 16.09 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.04 -12.9 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.508 HG21 HD23 ' A' ' 73' ' ' LEU . 2.7 mp -96.09 83.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 74' ' ' THR . 5.0 t0 -85.74 98.66 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -48.85 -34.24 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -28.49 23.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.2 pt-20 -89.56 -30.78 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -52.69 -40.51 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -42.18 75.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -99.94 35.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.61 -176.36 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 98.52 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.53 94.99 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -79.4 122.98 27.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.1 mm? -80.51 142.5 34.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -150.13 -178.38 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -140.48 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.05 -2.03 53.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.01 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -130.68 141.69 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.657 ' HG2' HG11 ' A' ' 51' ' ' VAL . 5.2 tt0 -82.08 76.27 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -124.3 -177.09 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.37 60.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -79.19 -165.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -134.72 -174.44 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.1 mtm -163.3 147.76 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -114.14 141.65 47.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.7 p -109.81 100.72 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.89 139.05 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -71.14 -10.33 59.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -112.34 154.92 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.665 0.745 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.3 Cg_endo -69.72 167.59 23.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.46 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.83 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 25.9 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.903 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -161.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.93 -85.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -127.84 93.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -163.74 173.4 12.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.451 ' H ' HG22 ' A' ' 7' ' ' THR . 4.1 p90 -149.93 -173.43 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.59 101.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -117.68 -28.05 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.87 -56.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.733 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.3 t 179.3 159.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.69 162.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m95 62.18 17.06 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.0 mm-40 -141.37 -50.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 12' ' ' THR . 7.1 p -98.47 -26.02 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -62.21 -30.08 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.44 38.65 69.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -154.7 177.91 10.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.984 0.421 . . . . 0.0 110.928 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.82 -175.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -131.83 125.77 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 103' ' ' MET . 96.2 t -134.33 122.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 138.71 42.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 103' ' ' MET . 22.9 mm -106.49 125.39 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -152.95 76.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -120.37 -76.83 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 143.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 tp -150.83 -55.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.84 -179.19 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.1 -33.2 3.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -103.87 -18.89 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.632 ' CG2' HD21 ' A' ' 66' ' ' LEU . 5.9 m -134.42 49.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -52.52 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 35' ' ' VAL . 62.0 t -65.73 -14.45 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -120.25 1.74 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -13.78 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.48 -32.72 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p 179.67 88.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -7.1 15.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 p -93.06 142.72 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -143.22 159.71 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.75 138.0 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 54' ' ' PHE . 93.6 t -118.69 121.95 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.05 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -75.51 -39.16 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.03 82.61 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.15 164.64 22.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.507 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -108.77 155.68 20.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.42 -16.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -90.23 -20.99 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.37 71.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.7 m-85 -75.02 -16.75 60.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.94 48.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.97 -15.37 13.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.4 p -105.48 -29.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 62' ' ' VAL . 96.3 t -83.39 -21.59 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -86.4 -4.81 59.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.4 -45.37 62.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 16.5 m -55.66 -24.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' ALA . 54.2 t -84.74 -61.59 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -20.11 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -92.87 0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.65 HD22 ' CH2' ' A' ' 83' ' ' TRP . 0.1 OUTLIER -133.72 55.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.716 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.5 mt-30 -125.57 37.06 0.35 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.635 0.731 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.753 2.302 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.8 m -153.78 59.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -69.32 -10.93 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -65.1 -15.26 62.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD12 ' HE2' ' A' ' 76' ' ' MET . 2.7 pp -101.56 -37.81 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 72' ' ' LEU . 54.8 mt -56.39 -33.87 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -17.11 60.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -20.36 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HE2' HD12 ' A' ' 72' ' ' LEU . 3.9 ptp -102.57 -26.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.92 -33.83 2.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 124.35 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.06 141.42 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -91.25 -35.33 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -15.97 60.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.7 pt-20 -89.88 -30.14 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.65 ' CH2' HD22 ' A' ' 66' ' ' LEU . 25.0 m0 -50.56 -43.98 56.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -44.6 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -97.48 35.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.26 179.58 4.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -100.66 91.02 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.15 115.01 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -99.42 121.86 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' SD ' ' A' ' 103' ' ' MET . 3.7 mm? -85.02 148.81 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -151.99 166.64 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -168.39 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.83 -0.23 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.85 4.01 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.7 39.75 33.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -141.76 159.93 41.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.88 84.92 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.71 168.51 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.71 56.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.5 p -79.05 -168.25 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -49.34 -31.06 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -134.07 159.68 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.777 ' HE2' HG11 ' A' ' 22' ' ' VAL . 5.3 mtm -146.0 120.32 9.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -79.75 126.88 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 103.8 13.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.76 158.87 16.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -87.71 -6.45 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.422 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.76 155.01 43.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.706 0.765 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.71 167.53 24.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.375 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -55.6 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.876 0.37 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.02 -156.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.66 -21.27 6.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.4 t -146.48 21.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.07 137.4 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -157.54 128.0 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.72 54.72 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -107.97 -43.34 4.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.0 -66.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -175.74 174.26 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.31 164.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m95 61.87 17.38 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.83 -37.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 -35.06 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -49.65 -43.76 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.48 36.67 16.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -149.23 162.88 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.814 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -139.52 -178.62 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -131.02 126.85 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.39 133.76 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 158.09 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 103' ' ' MET . 39.0 mm -125.22 129.04 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.33 80.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -120.2 -76.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.12 105.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD21 ' SG ' ' A' ' 105' ' ' CYS . 3.3 mm? -111.88 -57.59 2.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.45 -179.31 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -27.21 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HD2' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.01 -40.48 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 31' ' ' ARG . 28.6 m -113.32 48.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.58 -40.23 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.86 -20.69 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' HD3' ' A' ' 34' ' ' LYS . 30.3 t -65.11 -14.46 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -116.33 -1.34 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.82 -19.52 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -113.95 -30.35 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -79.06 -28.12 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.94 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.89 141.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -146.04 161.15 40.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 147.94 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.74 108.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 178.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -87.1 0.12 55.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.69 -15.06 6.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.31 144.43 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 111.112 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.29 168.57 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.08 -14.74 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -91.5 -26.67 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.22 -34.79 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.8 m-85 -69.93 -22.9 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.8 -2.66 37.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -1.94 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -111.13 -21.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 62' ' ' VAL . 53.2 t -95.12 -45.98 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.79 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.07 -53.05 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.87 -33.18 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.4 m -66.4 -39.15 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.627 HG13 HD23 ' A' ' 80' ' ' LEU . 75.2 t -50.9 -69.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -49.88 56.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -54.42 -32.12 56.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 36' ' ' LEU . 10.9 mt -115.71 61.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -127.26 36.08 0.32 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.4 m -156.0 66.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 73' ' ' LEU . 73.5 m -73.79 -7.52 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.88 -18.99 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.604 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.6 pp -96.18 -38.64 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HG ' ' A' ' 72' ' ' LEU . 9.8 mp -53.15 -42.6 66.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.502 HG23 ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -59.23 -20.66 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -30.17 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.54 ' SD ' HD12 ' A' ' 78' ' ' ILE . 5.4 ptp -91.36 -13.2 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.36 -46.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.54 HD12 ' SD ' ' A' ' 76' ' ' MET . 49.1 mt -59.04 125.35 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CG ' HG23 ' A' ' 74' ' ' THR . 11.2 t0 -128.35 106.45 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.627 HD23 HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -49.48 -31.08 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -25.19 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -88.52 -31.9 18.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.468 ' HZ3' HD12 ' A' ' 66' ' ' LEU . 24.2 m0 -53.87 -29.57 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -25.84 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.53 39.63 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.81 178.51 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -104.38 116.08 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 28' ' ' LEU . 4.2 m-85 -113.7 125.73 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.405 ' O ' HD23 ' A' ' 90' ' ' LEU . 98.1 m-85 -111.24 -174.47 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 105' ' ' CYS . 96.1 mt -151.21 156.01 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -158.08 174.12 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -166.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.89 0.4 55.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.713 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . . . -113.99 -25.74 8.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.69 30.1 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.713 ' OE2' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -125.79 144.61 50.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.9 tt0 -91.49 79.02 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -122.11 -169.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -117.81 54.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -79.91 179.58 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -44.52 62.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 126.31 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HB3' HD13 ' A' ' 24' ' ' ILE . 31.6 ttm -125.58 129.88 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -107.99 117.47 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.619 ' HA ' HD23 ' A' ' 90' ' ' LEU . 26.8 t -80.95 93.9 6.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.4 p -90.17 137.31 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -85.41 -4.34 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.416 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.6 p90 -113.99 154.99 45.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.71 167.49 24.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 30.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.913 0.387 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.35 -172.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.45 96.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t 51.37 88.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -158.51 157.98 33.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -174.77 134.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.73 63.23 4.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 16' ' ' VAL . 27.2 mm-40 -102.35 -38.93 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.0 -61.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 15' ' ' GLU . 2.9 t -179.34 133.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 14' ' ' TRP . 1.6 p -51.18 156.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 4.9 m95 67.61 10.51 7.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.7 OUTLIER -138.98 -37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 10' ' ' GLU . 8.8 p -120.19 -27.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.16 -35.85 38.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.42 35.8 19.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -157.87 163.99 37.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.93 -174.73 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -144.17 115.24 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -128.99 137.78 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.33 163.96 12.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.7 132.54 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -161.84 86.59 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -120.36 -76.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 28' ' ' LEU . 30.5 tt0 -179.68 124.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -139.24 -55.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' HG22 ' A' ' 32' ' ' VAL . 4.1 t70 -134.37 172.29 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.62 -27.92 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -99.21 -24.5 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' OD2' ' A' ' 29' ' ' ASP . 28.6 m -132.53 46.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.98 -50.09 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -16.29 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -63.36 -21.47 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.87 5.99 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.17 -15.1 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.48 -32.54 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -89.62 -10.12 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.63 ' SG ' HG21 ' A' ' 65' ' ' THR . 4.8 p 179.41 84.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.31 -22.44 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.495 HG22 ' NE ' ' A' ' 23' ' ' ARG . 99.0 t -87.1 138.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 33.0 m-85 -135.61 137.8 42.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 126.39 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HE1' ' A' ' 54' ' ' PHE . 81.3 t -112.36 110.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 176.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.54 87.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.86 150.54 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -107.03 157.28 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.64 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.7 t -62.66 -16.33 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -92.07 -23.44 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -63.87 -35.47 80.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HE1' HG13 ' A' ' 45' ' ' VAL . 11.1 m-85 -71.16 -24.69 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.6 -23.06 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 12.39 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' GLU . 92.8 t -120.11 -31.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 11.5 t -94.01 -5.44 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -98.88 -23.1 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.41 -30.79 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.06 0.33 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.628 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 m -105.8 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 59' ' ' ALA . 96.7 t -58.01 -65.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -51.6 -37.71 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.63 HG21 ' SG ' ' A' ' 40' ' ' CYS . 33.8 m -70.03 -31.41 69.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -109.54 49.84 0.81 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mt-30 -127.04 36.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.732 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.4 Cg_endo -69.83 -48.54 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.289 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.56 60.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -66.4 -13.62 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.59 -17.77 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.565 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -95.91 -36.01 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.4 mt -61.26 -32.01 71.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -18.18 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -74.33 -24.33 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.3 -24.63 13.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.76 -34.38 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.78 109.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 132.92 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -90.94 -33.15 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -21.7 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.65 -30.61 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.49 ' HZ3' HD13 ' A' ' 66' ' ' LEU . 34.9 m0 -53.01 -39.97 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -71.68 -31.55 66.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.0 m -111.28 39.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.38 -174.56 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -110.61 100.91 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -97.97 110.06 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -94.81 135.41 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.4 mm? -96.26 139.18 32.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -148.53 -178.49 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.54 -174.87 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -73.26 -6.42 45.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.1 1.52 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.79 29.75 69.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -133.09 157.48 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.64 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.3 tt0 -90.72 77.69 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -121.62 -176.21 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.505 ' HD1' HG22 ' A' ' 51' ' ' VAL . 7.9 p90 -120.14 60.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -79.42 -174.92 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -29.32 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 129.37 36.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptm -129.07 125.43 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -82.59 163.68 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.4 p -120.13 92.07 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.99 139.28 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -78.9 -36.44 42.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.43 154.46 93.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.761 . . . . 0.0 110.906 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.55 24.09 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -55.68 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.49 -56.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 7' ' ' THR . 36.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -86.46 143.32 27.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.91 -89.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -168.24 27.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -72.84 167.22 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -174.39 133.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.78 77.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -109.86 -56.25 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.84 -46.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 15' ' ' GLU . 9.4 t -169.91 164.28 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.2 t -89.84 163.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.0 m95 62.91 16.6 9.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mm-40 -135.21 -41.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.42 -35.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.87 -29.87 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.62 39.91 86.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -153.73 173.81 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.46 -175.53 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -142.84 107.71 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 103' ' ' MET . 9.6 p -118.86 153.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 156.58 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG21 ' SG ' ' A' ' 105' ' ' CYS . 16.3 mm -111.34 140.33 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -160.88 64.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -120.73 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.606 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 pt-20 -179.08 159.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.681 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -172.0 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.42 -174.42 3.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.34 -33.41 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -31.88 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.85 39.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.81 -48.4 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.51 -13.84 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG23 ' HD3' ' A' ' 34' ' ' LYS . 86.8 t -71.25 -20.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.5 3.62 10.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.57 -24.12 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -120.1 -32.27 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -28.85 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.98 86.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.16 -10.5 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -88.58 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -144.23 150.48 38.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.65 142.62 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 54' ' ' PHE . 75.8 t -126.87 113.24 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 174.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.95 0.03 57.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.55 63.31 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.3 t -122.87 -171.69 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.163 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.4 OUTLIER -130.06 158.72 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 97' ' ' GLU . 21.1 t -59.23 -20.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.9 t -84.34 -25.82 28.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.88 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' HA ' HG12 ' A' ' 57' ' ' VAL . 13.6 m-85 -69.49 -18.4 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.07 -6.0 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -11.6 13.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.5 p -105.9 -27.92 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 58' ' ' VAL . 29.3 t -91.08 -7.87 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.92 0.02 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -118.27 -8.38 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . . . -105.61 2.11 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.01 -19.38 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.598 HG13 HD12 ' A' ' 80' ' ' LEU . 21.4 t -71.41 1.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -121.96 -7.02 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -121.11 -10.5 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 4.0 mm? -107.49 15.74 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.39 36.81 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.74 -25.22 28.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -153.89 53.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 m -58.62 -17.75 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -57.32 -20.76 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.4 pp -103.18 -36.73 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' HG ' ' A' ' 72' ' ' LEU . 6.7 mp -65.67 -38.55 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -69.14 -16.95 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 13.5 ptp -86.16 -28.46 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -23.2 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.7 mt -80.01 111.4 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.9 t0 -111.82 101.7 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.598 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -49.27 -30.79 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -28.38 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.8 pt-20 -88.37 -33.05 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.526 ' HB2' HD13 ' A' ' 80' ' ' LEU . 9.4 m0 -51.67 -42.54 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -40.8 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.5 p -100.62 34.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.0 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -113.66 100.25 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -88.35 125.54 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -110.17 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.49 163.45 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -162.47 164.76 26.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.92 -175.21 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -11.12 60.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.28 4.47 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.44 33.88 63.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -133.58 158.95 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -81.81 86.25 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.04 169.79 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -120.01 59.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -168.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -44.55 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -110.3 148.3 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 22' ' ' VAL . 4.7 mtt -132.42 147.09 52.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -119.51 133.01 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.2 m -99.85 102.29 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -100.24 118.14 35.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -65.19 -16.51 63.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.1 p90 -105.8 154.9 39.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.77 23.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.04 2.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.97 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.92 0.39 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -57.21 133.11 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.11 38.88 8.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 6' ' ' VAL . 9.6 t 44.65 36.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 8' ' ' PHE . 7.0 m -84.21 157.29 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.4 ' N ' HG22 ' A' ' 7' ' ' THR . 42.6 p90 -158.38 131.18 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -110.21 -54.32 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -164.41 -64.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' HG12 ' A' ' 16' ' ' VAL . 12.9 t -164.72 170.35 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.11 163.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.9 m95 61.69 17.72 8.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.524 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.8 OUTLIER -137.62 -39.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 12' ' ' THR . 12.2 p -125.02 -31.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -50.77 -45.53 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.1 35.67 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -147.31 176.64 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.418 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 44' ' ' THR . 0.8 OUTLIER -151.65 -176.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -140.39 114.16 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -129.32 152.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 155.43 43.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 103' ' ' MET . 2.7 mp -133.81 131.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -161.41 82.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -120.34 -75.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 178.97 131.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -55.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.567 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -126.69 177.96 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 -16.86 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.434 HH12 HD21 ' A' ' 72' ' ' LEU . 2.1 ptm180 -120.83 3.12 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 32' ' ' VAL . 3.1 p -162.33 38.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -39.54 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.667 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -66.13 -16.13 63.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' HD3' ' A' ' 34' ' ' LYS . 19.9 t -77.08 -12.62 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -120.68 3.68 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -120.5 -18.22 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.45 -28.79 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 -7.59 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p 179.77 85.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p -116.27 -18.05 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.26 139.9 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -139.38 153.77 47.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.1 m -99.95 136.5 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -116.66 121.08 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -54.32 176.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -26.45 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.832 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.13 83.81 0.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -132.1 156.02 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.113 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -114.67 152.27 32.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 99' ' ' PHE . 15.6 t -62.05 -17.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.0 t -93.28 -17.88 23.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -35.2 77.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 49' ' ' THR . 8.7 m-85 -72.98 -21.85 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.27 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 12.49 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.24 -31.81 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -93.15 -4.22 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.81 -6.87 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -112.9 -49.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -41.28 69.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 36' ' ' LEU . 93.8 t -60.81 -45.31 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.75 HG13 HD22 ' A' ' 80' ' ' LEU . 84.0 t -55.16 -42.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -48.92 -68.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -20.51 55.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 80' ' ' LEU . 10.5 mp -109.3 51.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.1 mm-40 -126.95 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.76 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HB ' HD23 ' A' ' 72' ' ' LEU . 1.1 m -158.1 70.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.698 ' CB ' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.23 -5.7 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -73.06 -14.56 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.743 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.5 pp -99.92 -38.47 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.743 HD12 ' HG ' ' A' ' 72' ' ' LEU . 8.3 mp -57.23 -42.87 82.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -59.74 -21.35 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -79.24 -32.29 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE3' ' HG ' ' A' ' 73' ' ' LEU . 5.7 ptp -87.88 -22.58 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 -42.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 73' ' ' LEU . 83.7 mt -63.13 118.92 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.37 135.7 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.75 HD22 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -90.7 -33.9 15.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -20.0 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -83.33 -30.66 27.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -51.61 -43.19 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -35.87 78.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.2 m -106.31 38.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 -176.0 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -113.97 98.18 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -90.43 118.33 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -102.09 125.43 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.5 mm? -100.9 90.1 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.99 -179.63 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -167.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.69 0.1 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.42 -3.55 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.81 35.61 8.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.35 156.73 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.86 69.57 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -119.98 131.4 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.11 57.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -77.95 -169.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -50.57 -31.61 16.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -133.22 130.54 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.0 ptt? -132.84 116.5 16.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -79.75 136.69 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.506 ' SG ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -93.54 89.0 6.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.31 127.53 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -72.24 -10.3 59.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.9 p90 -113.04 154.94 44.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.685 0.755 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.77 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.399 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.79 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.29 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.71 95.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t 53.8 91.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.572 HG21 ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -160.22 163.66 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -174.55 145.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 74.59 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.687 ' HB3' HG21 ' A' ' 16' ' ' VAL . 8.9 mt-10 -113.56 -43.08 3.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.7 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.721 ' O ' HG12 ' A' ' 16' ' ' VAL . 8.7 t -164.58 160.49 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.1 162.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.6 m95 62.39 17.12 9.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.5 OUTLIER -142.95 -46.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 12' ' ' THR . 8.6 p -102.89 -27.93 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.32 40.43 55.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -155.0 170.94 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.969 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -151.14 163.6 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -117.15 128.16 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.58 125.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.616 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -100.44 161.81 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.6 mm -121.27 139.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.6 m -161.35 75.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -121.27 -78.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 174.99 156.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -163.12 -54.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -138.7 -178.64 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.23 -42.78 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -77.44 -21.87 52.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.696 ' CG2' HD13 ' A' ' 66' ' ' LEU . 15.6 m -138.12 45.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.6 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.81 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.92 -14.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -1.37 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.13 -15.36 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -115.15 -30.91 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -86.55 -16.27 37.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 p -176.59 84.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -113.1 -13.35 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.616 HG22 ' NE ' ' A' ' 23' ' ' ARG . 93.0 t -90.12 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 144.42 42.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.3 p -132.61 115.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 149.47 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -25.39 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 73.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -140.75 165.42 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.701 0.286 . . . . 0.0 111.153 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -112.43 153.09 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' HG2' ' A' ' 97' ' ' GLU . 13.9 t -61.73 -18.22 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.8 t -90.66 -22.83 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -64.58 -32.45 74.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CE1' HG23 ' A' ' 45' ' ' VAL . 6.3 m-85 -77.27 -19.77 56.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.43 -17.76 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 16.06 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 53' ' ' GLU . 88.6 t -120.13 -32.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.1 t -90.36 -19.87 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -73.08 -25.2 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.13 -41.79 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.0 96.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.8 m -58.61 -38.94 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 80' ' ' LEU . 90.6 t -62.07 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.16 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -77.7 -36.18 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' CZ3' ' A' ' 83' ' ' TRP . 13.3 mt -107.05 60.9 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.736 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mm100 -127.17 35.7 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.69 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 68' ' ' PRO . 3.2 m -155.98 74.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -60.59 -18.7 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -57.53 -19.92 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.51 -55.13 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.516 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -52.67 -40.58 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -70.9 -24.94 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -75.46 -29.77 59.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.5 mtm -89.41 -30.19 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.2 -36.16 1.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.89 108.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 131.76 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.649 ' CD1' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -90.87 -30.42 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -16.64 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.5 pt-20 -84.92 -30.7 24.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.735 ' CZ3' HD12 ' A' ' 66' ' ' LEU . 16.5 m0 -49.91 -50.93 44.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -43.49 93.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.3 p -97.13 35.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 82' ' ' GLU . . . -117.76 163.0 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 t -89.23 138.75 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -129.58 121.76 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.51 171.17 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.712 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.3 mp -141.73 155.29 45.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -155.06 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -137.65 -169.26 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.95 2.47 51.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.24 -7.64 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.52 33.09 20.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.567 ' HG3' ' ND2' ' A' ' 98' ' ' ASN . 11.2 pt-20 -143.09 142.1 31.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.642 ' HG2' HG11 ' A' ' 51' ' ' VAL . 13.1 tt0 -83.87 91.15 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.567 ' ND2' ' HG3' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -136.63 -169.29 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -111.04 60.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -178.5 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -49.99 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -124.62 121.84 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.712 ' CE ' HD22 ' A' ' 90' ' ' LEU . 7.0 ptm -115.84 130.26 56.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -85.03 139.65 31.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB2' HG21 ' A' ' 24' ' ' ILE . 17.1 t -97.08 100.99 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.68 150.5 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -95.44 -0.75 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.42 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.9 p90 -111.16 154.98 43.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.73 167.77 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.377 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.47 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.73 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.556 0.693 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 72.46 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.3 mt -85.64 157.25 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.67 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.57 -81.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -112.68 91.57 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -160.83 148.93 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -174.7 134.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.97 60.03 8.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -171.04 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 15' ' ' GLU . 13.3 t -176.09 170.35 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.64 163.38 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 m95 62.74 16.67 9.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.3 mm-40 -135.53 -40.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.99 -36.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.03 -30.14 24.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.87 40.09 84.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -154.34 174.47 14.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -151.42 -175.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -135.23 127.03 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 100' ' ' SER . 48.1 t -136.48 147.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.2 160.5 29.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.7 mm -124.03 130.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.0 m -161.37 75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -121.51 -77.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -176.83 134.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.69 -56.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -126.42 -172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.24 -36.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.82 -46.33 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 29' ' ' ASP . 14.7 m -100.91 39.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.62 -42.13 43.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -14.45 61.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 HG22 ' A' ' 65' ' ' THR . 65.9 t -71.82 -19.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.65 3.18 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -120.19 -30.51 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -110.77 -43.85 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.95 -41.44 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.8 86.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.53 -0.98 15.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.44 136.04 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' HG13 ' A' ' 58' ' ' VAL . 34.7 m-85 -143.43 156.25 44.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.2 m -98.73 141.76 31.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.675 HG13 ' CE1' ' A' ' 54' ' ' PHE . 63.3 t -118.96 118.63 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -174.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 t -77.49 -57.01 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.75 90.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -140.86 163.35 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -109.01 157.92 18.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' HD1' ' A' ' 99' ' ' PHE . 10.3 t -64.9 -15.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.8 t -91.12 -24.02 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -32.46 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.675 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.4 m-85 -75.34 -19.26 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.52 -8.67 56.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.5 t -112.38 -14.39 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.66 -24.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 62' ' ' VAL . 94.3 t -89.14 -42.78 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -69.45 -23.65 63.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.35 -34.95 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 58' ' ' VAL . 86.4 t -55.66 -23.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 80' ' ' LEU . 75.0 t -78.62 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -26.38 57.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.653 HG22 HG12 ' A' ' 35' ' ' VAL . 74.3 m -76.31 -24.7 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.715 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.5 mp -119.39 56.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.719 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mt-30 -126.87 36.66 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG21 HD12 ' A' ' 72' ' ' LEU . 4.3 m -153.61 68.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -27.54 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.6 -27.47 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HG21 ' A' ' 69' ' ' VAL . 52.5 mt -86.08 -48.3 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.695 HD12 HD23 ' A' ' 80' ' ' LEU . 12.3 mt -51.38 -49.46 61.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -24.69 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -82.98 -24.01 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtm -92.6 -24.98 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.62 -16.46 5.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 98.5 mt -84.51 114.57 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.79 134.14 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.695 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.0 -29.52 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -23.7 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.66 -31.09 41.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.715 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 22.8 m0 -55.73 -38.8 70.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 p -73.39 -25.07 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.28 39.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.39 171.31 8.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.3 t -95.55 133.9 39.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.7 m-85 -119.2 95.18 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -86.2 105.24 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.0 mm? -80.05 111.9 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.98 172.77 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 -166.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.64 -2.7 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.752 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -107.89 -19.83 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.61 6.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.752 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -124.75 172.21 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.525 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.2 tt0 -84.94 81.55 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -121.92 158.51 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.633 ' HD1' HG22 ' A' ' 51' ' ' VAL . 12.8 p90 -120.52 58.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' VAL . 8.3 t -79.62 -169.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.79 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -140.8 121.04 13.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 24' ' ' ILE . 10.3 ptt? -125.57 132.42 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -79.14 155.07 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 p -111.24 97.04 6.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.52 140.26 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -80.66 -37.09 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -69.97 154.16 94.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.6 23.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.7 Cg_endo -69.77 73.66 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 4' ' ' LYS . 39.7 mt -86.65 157.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -48.84 102.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 47.09 -99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p -126.43 92.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.73 163.61 36.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -174.71 144.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.22 61.25 6.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.69 -56.34 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.81 -62.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -175.73 173.56 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -88.59 164.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 38.6 m95 61.71 17.59 8.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.53 -37.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.15 -34.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -49.73 -44.48 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.16 37.18 12.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.55 162.95 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.3 mptp? -136.68 -176.27 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -138.43 107.65 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.605 HG11 ' SD ' ' A' ' 103' ' ' MET . 8.8 p -119.18 153.35 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 135.62 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 103' ' ' MET . 3.7 mm -100.46 123.95 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 m -162.15 84.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -120.97 -76.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.1 pt-20 -175.57 131.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 27' ' ' GLU . 50.9 mt -150.19 -42.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.09 163.54 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.18 -20.33 11.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -24.99 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 m -129.91 39.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.98 -31.35 56.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -15.69 59.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 35' ' ' VAL . 15.9 t -78.96 -5.48 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -120.35 -0.07 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.63 -16.05 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -112.49 -51.93 2.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -50.15 -46.96 54.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.1 t -178.31 92.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.06 -2.78 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -100.41 140.64 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -147.03 145.07 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.46 150.21 24.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 54' ' ' PHE . 2.5 p -141.47 120.86 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.75 -20.91 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.57 10.94 32.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -69.7 169.39 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 111.154 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.97 155.23 29.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.99 -17.25 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -89.94 -23.58 21.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -27.5 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -81.8 -15.59 53.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.0 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 8.45 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 54' ' ' PHE . 8.8 p -117.16 -23.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 17.7 t -97.0 -24.91 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -67.26 -29.42 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -24.09 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.33 0.66 40.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 58' ' ' VAL . 18.4 m -109.97 -37.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 80' ' ' LEU . 98.4 t -55.29 -73.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -52.64 -39.14 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -63.53 -26.68 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.8 mp -122.24 60.08 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.85 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -153.4 66.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -25.05 55.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -29.65 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.07 -51.86 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -51.26 -50.98 58.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -24.34 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.35 -28.44 18.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.3 mtm -80.46 -22.94 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.73 0.5 8.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.494 HG21 HD23 ' A' ' 73' ' ' LEU . 97.4 mt -104.06 115.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.21 133.94 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.85 -24.57 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -23.34 47.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.5 -31.17 47.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -54.79 -38.02 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.02 -23.28 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -120.99 39.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -118.48 -176.79 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -114.73 135.08 54.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -123.74 109.99 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -86.87 119.34 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.8 mm? -84.73 88.85 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -86.09 -179.51 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.48 -167.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.48 0.61 32.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.35 -5.34 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.84 16.48 59.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.09 153.42 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 4.3 tt0 -90.86 72.67 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -127.13 -174.68 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.34 59.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -79.9 -171.61 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -37.1 44.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.605 ' SD ' HG11 ' A' ' 22' ' ' VAL . 8.6 mtp -124.64 99.85 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.33 163.79 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.03 82.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.37 141.99 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -97.13 53.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -174.82 154.71 1.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.722 0.772 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.2 Cg_endo -69.81 168.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.545 0.688 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 73.56 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 mt -85.48 150.64 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.11 131.15 50.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.55 -99.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.2 t -142.69 27.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.07 166.63 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -171.56 135.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.3 75.81 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -108.48 -52.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -166.36 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 15' ' ' GLU . 12.9 t -175.99 170.94 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.11 164.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.5 m95 61.84 17.52 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 12' ' ' THR . 36.0 mt-10 -138.73 -38.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.62 -34.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -49.52 -43.47 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.57 37.0 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -154.71 168.54 26.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 -176.2 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.1 124.06 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG11 ' SD ' ' A' ' 103' ' ' MET . 98.9 t -144.2 141.21 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 24' ' ' ILE . 1.3 mtt180 -108.08 162.06 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.584 HD11 ' HE2' ' A' ' 103' ' ' MET . 15.2 mm -128.66 121.29 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -161.55 87.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -120.1 -76.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.06 110.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mp -123.41 -56.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.02 179.93 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.44 -27.84 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -46.38 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.34 40.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.32 -33.46 16.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -22.72 61.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 66' ' ' LEU . 37.5 t -67.47 -20.72 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -110.35 6.97 22.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -114.98 -21.11 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -116.7 -25.76 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -10.64 29.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -175.94 80.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -118.26 -29.97 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -86.77 138.46 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.46 159.28 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 139.52 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -119.7 119.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.4 t -82.56 -27.04 31.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.67 73.61 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.46 143.28 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.164 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 170.39 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.81 HG11 ' HB3' ' A' ' 97' ' ' GLU . 9.5 t -69.01 -13.66 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -93.03 -27.98 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -60.42 -27.32 67.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.5 m-85 -79.3 -20.74 47.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.449 ' N ' HD21 ' A' ' 90' ' ' LEU . . . -80.48 -17.15 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.05 -3.61 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -105.94 -26.07 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.6 t -84.38 -42.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -54.1 -26.89 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -95.12 -23.1 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.42 0.91 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 m -105.63 -32.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 80' ' ' LEU . 79.9 t -63.96 -75.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -37.48 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.598 ' O ' HD23 ' A' ' 66' ' ' LEU . 97.3 m -69.55 -29.67 67.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 36' ' ' LEU . 16.9 mt -124.22 61.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -126.88 36.45 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.8 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.629 2.22 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -152.72 61.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -13.48 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.96 -17.53 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -97.61 -36.16 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.6 mt -60.54 -32.07 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -17.23 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.48 -23.19 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptp -100.94 -25.68 14.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.56 -40.35 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.84 112.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.54 138.01 35.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.798 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.77 -31.07 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.33 66.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -75.41 -31.0 60.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' VAL . 23.8 m0 -52.71 -34.48 52.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -28.42 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.3 m -114.62 39.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.47 -174.06 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.446 HG21 ' CZ ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -126.83 109.11 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.9 m-85 -102.08 75.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 87' ' ' THR . 86.9 m-85 -56.84 141.52 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.2 mm? -98.65 160.64 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -168.28 171.58 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -118.25 -171.49 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -11.2 60.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.43 -5.36 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.12 31.24 29.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -124.25 135.11 53.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.81 ' HB3' HG11 ' A' ' 51' ' ' VAL . 1.8 mt-10 -79.77 82.68 5.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -129.39 166.39 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -77.23 60.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.86 156.07 20.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -28.9 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.34 127.01 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.639 ' SD ' HG11 ' A' ' 22' ' ' VAL . 1.8 mtp -124.34 109.3 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -79.83 125.13 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.526 ' SG ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -90.52 97.0 10.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.09 142.21 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -80.92 -5.98 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.0 p90 -110.29 154.54 42.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.97 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.5 Cg_endo -69.8 168.11 22.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.236 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -48.07 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.23 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.596 0.712 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.6 Cg_endo -69.77 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -89.52 156.77 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -56.17 136.97 52.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.82 -31.15 16.16 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' VAL . 3.5 t -108.15 36.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.502 HG21 HG22 ' A' ' 16' ' ' VAL . 1.3 m -160.9 138.36 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -169.88 126.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.71 46.14 54.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' HG23 ' A' ' 7' ' ' THR . 6.6 mm-40 -90.04 -33.86 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.47 -68.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.608 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.9 t -167.28 172.67 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.86 163.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.0 m95 61.51 17.8 8.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -138.76 -39.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 12' ' ' THR . 10.0 p -123.68 -30.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.7 -51.44 49.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.68 33.07 7.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -146.01 162.3 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.2 mptp? -142.51 -176.46 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -135.13 106.26 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.533 HG21 ' SD ' ' A' ' 103' ' ' MET . 5.2 p -117.96 120.14 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 147.94 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.4 mm -104.64 138.23 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -160.99 77.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -120.7 -77.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.6 tt0 177.93 146.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -161.7 -56.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.69 173.54 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.38 -47.99 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -78.87 -31.6 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.488 ' CG2' HD23 ' A' ' 66' ' ' LEU . 4.6 m -121.53 39.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.9 -52.82 13.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -15.83 59.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.705 HG12 HG22 ' A' ' 65' ' ' THR . 87.5 t -70.99 -20.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -121.04 3.88 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -119.96 -23.54 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.11 -44.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -42.31 64.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.85 89.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -113.43 -2.49 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.9 138.9 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -146.5 144.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 141.84 56.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.628 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.1 p -135.29 109.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -179.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.35 -25.47 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.53 58.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.94 171.73 9.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -124.12 156.31 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 97' ' ' GLU . 7.4 t -60.26 -18.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -90.87 -28.62 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.07 -35.02 74.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.709 ' O ' HG22 ' A' ' 58' ' ' VAL . 4.7 m-85 -72.26 -21.68 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.08 -18.22 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 9.11 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -122.27 -28.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 54' ' ' PHE . 23.9 m -82.52 -40.46 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -66.88 -33.98 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.51 -63.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.16 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 58' ' ' VAL . 56.8 t -54.45 -25.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ALA . 74.5 t -78.03 -68.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -25.26 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 HG12 ' A' ' 35' ' ' VAL . 63.7 m -77.57 -32.51 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.2 mp -109.86 56.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.708 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -126.74 36.77 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.74 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 72' ' ' LEU . 4.9 m -153.38 67.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -24.56 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -55.91 -23.79 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 69' ' ' VAL . 69.3 mt -92.97 -45.88 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 80' ' ' LEU . 11.2 mt -53.25 -36.79 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -24.94 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -22.44 58.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.2 mtm -99.09 -27.45 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.27 -33.76 2.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.91 110.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.09 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.91 135.0 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.79 -25.17 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -21.76 53.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -81.84 -31.34 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.698 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -54.65 -34.7 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.39 -23.82 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.8 m -119.83 39.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.1 -174.6 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -115.58 101.51 8.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -91.83 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -90.38 122.3 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.5 mm? -85.76 165.7 16.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -167.4 169.19 12.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.6 -168.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -76.36 -11.05 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.25 4.16 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.24 32.92 59.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -132.71 160.42 36.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -81.41 85.6 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -126.93 169.38 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -118.05 60.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.11 -167.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -32.12 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -131.5 178.36 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -157.13 146.64 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -114.17 133.78 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.5 p -113.19 101.6 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.21 146.68 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.84 -10.39 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.11 155.02 43.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.82 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.543 0.687 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.6 Cg_endo -69.7 69.16 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.387 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 7' ' ' THR . 30.5 mt -80.76 159.04 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -57.23 -171.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.24 -84.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.28 80.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -156.02 168.48 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -149.87 -171.32 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.47 100.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HB2' HG11 ' A' ' 16' ' ' VAL . 6.4 mm-40 -114.21 -17.35 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -167.48 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.8 176.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.15 163.16 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 m95 61.23 17.84 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -142.22 -37.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -122.09 -34.27 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -50.2 -43.79 52.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.98 36.59 12.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -154.22 164.98 37.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.95 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -138.62 -177.11 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -134.18 108.19 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' SER . 3.9 p -115.64 117.73 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -94.66 157.16 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 103' ' ' MET . 5.1 mp -127.42 136.76 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -161.43 80.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -120.1 -76.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 178.5 135.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' SG ' ' A' ' 105' ' ' CYS . 0.3 OUTLIER -144.04 -56.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' CG ' HG23 ' A' ' 32' ' ' VAL . 2.9 m-20 -125.62 -174.0 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 -31.93 4.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.751 ' HG3' HG13 ' A' ' 32' ' ' VAL . 15.7 ptm180 -110.92 -34.74 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 31' ' ' ARG . 32.7 m -106.0 39.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.653 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -86.46 -49.47 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -55.29 -23.3 22.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' A' ' 34' ' ' LYS . 55.1 t -69.45 -23.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.23 -8.82 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.89 -30.18 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -12.64 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.0 p 179.87 85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -22.97 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.06 142.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE1' HD13 ' A' ' 24' ' ' ILE . 8.5 m-85 -141.75 163.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 141.91 44.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 20' ' ' LYS . 3.1 p -134.13 118.26 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -179.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -0.18 50.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.92 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.7 161.68 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -114.71 156.68 24.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -62.23 -17.12 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.3 t -89.82 -23.93 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -29.55 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 7.4 m-85 -78.54 -16.2 57.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.84 -3.43 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 2.83 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -117.35 -26.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.5 t -97.55 -2.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.99 -22.1 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.45 -49.94 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.11 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.39 -48.73 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.739 HG13 HD11 ' A' ' 80' ' ' LEU . 62.8 t -47.94 -43.02 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -51.63 -50.23 60.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.1 p -87.51 0.51 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 32' ' ' VAL . 3.9 mm? -122.9 29.93 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.84 36.23 0.33 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 -49.12 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.442 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.1 m -148.4 62.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 p -70.09 -10.63 59.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -66.14 -13.39 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 69' ' ' VAL . 2.5 pp -104.65 -23.31 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 72' ' ' LEU . 11.8 mt -77.86 -25.36 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -17.89 64.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.47 -6.51 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mtm -95.39 -26.17 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.01 16.9 4.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.9 mt -129.79 108.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 129.69 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HG13 ' A' ' 63' ' ' VAL . 2.9 tm? -90.21 -30.87 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -23.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.1 pt-20 -76.16 -30.63 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -52.11 -42.59 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 m -68.58 -35.19 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.6 m -106.18 38.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 107' ' ' PHE . . . -127.44 166.97 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 t -96.34 134.6 39.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.37 100.06 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.32 144.15 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.11 130.59 52.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.23 168.89 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.79 -166.89 1.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.92 -1.67 40.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.703 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -116.07 -26.69 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.3 28.97 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.703 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.9 OUTLIER -124.31 156.92 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.55 81.4 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -119.46 169.58 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -120.1 48.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -79.36 -169.74 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -51.79 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -93.45 140.27 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.587 ' O ' HG23 ' A' ' 24' ' ' ILE . 6.8 ttp -145.23 110.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -79.1 138.88 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 28' ' ' LEU . 9.4 p -103.84 104.73 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -108.76 143.55 37.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' HB1' ' A' ' 86' ' ' ALA . 3.2 t80 -82.95 -36.77 24.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 35.5 p90 -71.53 154.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.738 0.78 . . . . 0.0 110.879 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.3 Cg_endo -69.77 167.56 24.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.77 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.568 0.699 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.2 Cg_endo -69.76 73.27 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.59 147.4 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -76.52 143.38 40.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 6' ' ' VAL . 7.2 p -167.99 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.147 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -71.65 170.64 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -174.43 134.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.84 66.57 2.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 7' ' ' THR . 6.3 mm-40 -105.95 -60.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.97 -64.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.8 t -169.83 173.6 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.55 162.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.9 m95 61.81 17.5 8.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.8 mm-40 -136.82 -39.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 12' ' ' THR . 12.7 p -124.71 -32.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.12 -38.2 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.47 34.34 45.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -153.77 163.34 40.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -133.79 -175.42 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -145.15 107.42 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG21 ' CE ' ' A' ' 103' ' ' MET . 10.2 p -115.84 152.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 42' ' ' VAL . 2.1 mpt_? -134.56 156.72 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.65 130.08 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -160.72 70.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -120.12 -76.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.46 137.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 88' ' ' PHE . 1.3 tp -146.81 -54.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.05 164.1 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.02 -22.78 12.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -24.41 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.01 55.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.44 -48.26 7.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.03 -21.02 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG23 ' HD3' ' A' ' 34' ' ' LYS . 95.8 t -61.87 -21.93 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -115.85 6.1 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -21.24 9.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -118.96 -26.94 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HB3' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -91.45 -20.02 22.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.86 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -16.09 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.485 HG23 ' HD2' ' A' ' 23' ' ' ARG . 2.3 p -105.69 142.12 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.01 139.95 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' LYS . 94.7 m -116.22 130.13 56.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.672 HG11 ' CE1' ' A' ' 54' ' ' PHE . 2.9 m -118.96 163.18 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.13 -169.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -24.49 38.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.12 87.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -137.08 145.52 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.21 168.36 9.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -69.32 -14.45 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -91.94 -26.52 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -63.4 -34.12 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 45' ' ' VAL . 8.4 m-85 -70.68 -21.84 62.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.24 -6.87 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.3 5.57 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -120.29 -9.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 58' ' ' VAL . 16.2 t -115.82 -3.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.71 -20.71 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -102.8 -40.57 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.5 83.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.0 m -54.14 -42.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 78.9 t -57.35 -47.92 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -51.23 -34.93 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 39' ' ' LYS . 6.2 m -89.7 -21.62 22.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -104.89 49.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.724 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.1 mm-40 -127.01 35.95 0.31 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.724 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.76 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.623 2.215 . . . . 0.0 112.398 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 68' ' ' PRO . 1.5 m -157.05 62.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -13.79 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.25 -17.22 57.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -96.61 -36.24 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 72' ' ' LEU . 25.2 mt -60.18 -33.09 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -18.37 62.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -76.48 -23.84 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.2 ptp -100.73 -25.93 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.64 -33.86 2.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.74 106.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.6 130.37 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 2.8 tm? -91.01 -31.19 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -14.06 61.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.4 pt-20 -86.92 -30.12 21.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 26.5 m0 -50.04 -51.32 43.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -44.12 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.2 35.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.86 -176.64 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.1 m -111.84 89.03 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 m-85 -84.63 120.66 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -99.62 161.97 13.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.0 OUTLIER -136.67 147.32 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.52 -178.77 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.44 179.34 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -71.98 -17.34 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.36 -1.58 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.63 35.26 11.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -127.56 145.79 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.96 75.28 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -123.07 174.85 6.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -119.37 56.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -79.74 -168.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -31.96 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -124.46 139.35 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.627 ' CE ' HG21 ' A' ' 22' ' ' VAL . 5.5 ttp -140.3 111.52 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -79.74 123.41 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.6 t -90.4 101.34 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.85 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -95.87 18.46 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.414 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.4 p90 -135.66 155.06 78.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.716 0.77 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.4 Cg_endo -69.81 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.44 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 121.592 0.711 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.4 Cg_endo -69.73 -5.3 15.86 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 mt -86.14 155.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -57.16 151.33 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.88 -45.94 31.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.86 55.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 10' ' ' GLU . 7.1 m -161.98 145.3 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -172.27 126.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.62 46.3 38.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.643 ' HG3' HG23 ' A' ' 7' ' ' THR . 5.0 mm-40 -87.38 -34.93 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.63 -68.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.621 ' O ' HG12 ' A' ' 16' ' ' VAL . 3.5 t -176.86 142.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.67 158.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.0 m95 63.72 12.27 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.555 ' HB2' HG23 ' A' ' 12' ' ' THR . 13.5 mt-10 -152.46 11.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 12' ' ' THR . 9.3 p -157.58 -34.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -23.34 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.54 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -158.02 164.85 36.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.811 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -141.89 -179.97 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -131.55 125.73 33.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 103' ' ' MET . 99.3 t -126.16 144.67 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 155.03 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.3 mm -116.23 136.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -159.54 67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -120.75 -77.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 177.24 150.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -159.47 -54.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -140.5 176.31 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.98 -46.71 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -26.79 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' HD23 ' A' ' 66' ' ' LEU . 34.8 m -131.43 39.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.56 -58.43 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -20.81 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.87 -20.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -117.99 9.1 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -120.5 -25.13 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.58 -23.17 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -100.99 -6.16 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.28 84.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -125.76 -36.62 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.42 135.61 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -142.42 149.76 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.2 147.82 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.0 p -140.07 113.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 169.9 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -77.88 -6.83 55.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.21 -19.82 7.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.58 140.25 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.51 169.23 9.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -69.0 -12.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -94.68 -27.48 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 57' ' ' VAL . 4.3 tt0 -61.03 -37.73 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.38 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.7 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.27 12.62 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 53' ' ' GLU . 98.2 t -120.23 -31.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -94.26 -4.16 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -111.04 0.21 16.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -36.44 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.95 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -64.53 -32.52 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 80' ' ' LEU . 93.1 t -58.21 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -30.2 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.0 m -74.67 -24.31 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 36' ' ' LEU . 6.5 mp -120.93 54.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.72 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.3 mt-30 -127.05 36.67 0.35 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.456 ' HB ' HD23 ' A' ' 72' ' ' LEU . 4.1 m -153.54 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -8.23 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.61 -14.57 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.607 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -100.31 -24.68 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 72' ' ' LEU . 10.4 mt -76.54 -28.68 56.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -22.89 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -99.53 -20.34 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.62 -26.66 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.43 17.28 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.7 mt -129.19 112.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.96 135.23 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.71 -34.02 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -23.57 65.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 85' ' ' VAL . 7.1 pt-20 -78.02 -30.25 49.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.64 -27.26 38.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -25.64 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.2 m -116.97 40.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.09 -179.94 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 m -104.34 101.7 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.1 m-85 -95.15 127.87 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.16 171.67 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.2 mp -141.53 166.47 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -161.74 179.32 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.67 177.83 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.03 -14.18 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.82 5.53 45.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.94 30.67 67.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -131.32 155.23 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.66 86.84 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -128.51 172.37 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -117.08 54.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.9 -165.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.71 -54.75 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -126.01 157.25 38.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.549 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.4 ptm -147.1 135.24 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -79.82 138.2 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 39.6 t -103.98 100.89 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.79 148.99 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.79 -1.63 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.43 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.1 p90 -113.27 155.03 45.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.744 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.75 167.83 23.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.14 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.81 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.547 0.689 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 78.13 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt -91.3 114.66 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm 41.61 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.35 87.62 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.9 t 55.78 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 m -161.0 150.16 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -162.21 145.97 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.4 58.36 13.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -112.06 -56.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -131.87 -67.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -175.42 175.15 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -90.4 164.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 37.3 m95 61.84 17.36 8.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -138.37 -37.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.85 -35.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -49.85 -44.83 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.78 36.78 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -151.53 166.88 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 -176.11 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -137.25 104.4 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 103' ' ' MET . 11.3 p -112.44 151.57 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.3 158.07 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.418 HG13 HG11 ' A' ' 58' ' ' VAL . 49.7 mm -118.48 127.82 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -120.29 -76.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD22 ' A' ' 28' ' ' LEU . 1.7 mt-10 179.0 129.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -143.44 -57.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.521 ' OD1' HD13 ' A' ' 78' ' ' ILE . 50.0 m-20 -130.8 173.01 11.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.64 -47.71 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -76.54 -18.47 58.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.09 43.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.95 -58.33 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -12.99 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 39' ' ' LYS . 52.8 t -69.81 -16.7 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 28' ' ' LEU . 2.2 pp -120.64 2.43 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -25.83 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -113.13 -45.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -51.71 -48.76 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.92 83.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.16 -0.21 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.86 142.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 73.4 m-85 -149.12 159.18 44.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.5 136.1 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 54' ' ' PHE . 94.9 t -116.88 120.35 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -172.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.2 t -82.85 -37.03 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.1 84.5 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.09 164.9 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.08 155.58 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG22 ' HD1' ' A' ' 99' ' ' PHE . 14.1 t -61.46 -17.68 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.7 t -90.24 -22.61 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.9 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.8 m-85 -85.84 -14.6 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.56 -13.3 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.26 -5.45 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 54' ' ' PHE . 5.0 p -108.52 -26.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 42.4 t -95.01 -15.02 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.08 0.29 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.07 -33.92 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.17 0.64 40.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.72 -35.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 80' ' ' LEU . 97.7 t -60.75 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -55.65 -24.78 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.7 m -83.79 -24.98 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 1.7 mm? -113.92 50.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.733 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -127.08 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.966 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.71 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.5 m -154.36 66.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' LEU . 1.4 p -70.92 -10.51 59.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -67.74 -12.98 61.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 72' ' ' LEU . 2.2 pp -108.91 -6.62 15.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' SER . 16.4 mt -96.93 -21.02 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.83 0.26 40.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 0.72 17.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 7.6 ptp -116.79 -26.21 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.25 1.4 5.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.521 HD13 ' OD1' ' A' ' 29' ' ' ASP . 68.8 mt -105.43 104.88 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.63 135.28 36.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -91.03 -34.1 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -22.23 65.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.0 pt-20 -79.07 -30.53 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -51.82 -40.46 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 p -71.36 -34.54 70.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.0 m -107.77 39.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.38 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -95.41 109.32 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.54 125.55 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -116.65 153.51 32.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.7 142.87 46.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.49 -178.87 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.51 -168.56 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -15.98 55.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.62 2.26 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.1 30.1 51.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -129.1 161.1 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 84.21 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -124.2 164.3 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HD1' HG22 ' A' ' 51' ' ' VAL . 11.4 p90 -120.01 58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.88 -169.73 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -34.44 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -122.19 148.5 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 2.0 mtt -140.61 140.27 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -105.08 115.11 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.5 t -85.76 98.54 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.85 153.49 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.65 37.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.429 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.7 p90 -159.49 155.02 22.42 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.716 0.77 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.81 167.65 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.88 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.533 0.682 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.1 Cg_endo -69.68 72.53 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 4' ' ' LYS . 34.7 mt -84.53 144.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.723 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -54.31 145.72 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.56 -99.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.6 t -149.89 24.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.461 ' O ' HG21 ' A' ' 3' ' ' ILE . 5.6 m -72.8 157.75 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.65 133.11 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 62.04 3.86 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.94 -47.88 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.68 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.593 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.2 t -167.92 171.08 10.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.01 163.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.6 m95 61.62 17.91 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 mt-10 -138.27 -39.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 12' ' ' THR . 10.1 p -124.16 -30.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.4 -41.12 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.6 31.99 43.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -151.08 158.01 43.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.927 0.394 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.815 ' HB2' HG13 ' A' ' 45' ' ' VAL . 2.4 mptp? -132.86 166.38 22.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -127.44 108.47 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 ' SD ' ' A' ' 103' ' ' MET . 12.0 p -108.04 146.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' HD2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -128.18 164.2 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -125.06 146.62 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -154.16 34.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.13 -73.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 176.61 169.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.644 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -171.97 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.66 -177.29 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -118.44 -34.77 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -23.29 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 HD23 ' A' ' 66' ' ' LEU . 6.5 m -129.4 40.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -71.17 -51.45 24.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -15.47 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 65' ' ' THR . 59.0 t -63.87 -16.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.18 -2.28 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.83 -26.37 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.79 -32.35 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.51 -23.74 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -177.13 86.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -17.24 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 23' ' ' ARG . 22.0 t -81.39 142.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 97.8 m-85 -151.27 135.47 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.47 151.5 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 20' ' ' LYS . 1.8 p -151.66 111.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 176.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 t -81.01 -20.3 42.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.45 72.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -135.78 169.24 17.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.152 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.64 156.4 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 97' ' ' GLU . 15.4 t -62.84 -16.39 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -91.07 -23.5 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -67.47 -31.06 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -76.61 -18.73 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.77 -20.17 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 8.7 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 53' ' ' GLU . 87.9 t -120.02 -31.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 21.5 t -92.56 -17.28 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.36 -19.79 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.11 -27.81 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.3 0.33 42.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 58' ' ' VAL . 11.7 m -103.45 -35.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.01 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -36.93 63.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 35' ' ' VAL . 61.3 m -71.53 -24.01 61.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 32' ' ' VAL . 7.3 mp -119.28 61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.1 mm-40 -126.76 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG21 HD12 ' A' ' 72' ' ' LEU . 3.6 m -154.65 65.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -27.3 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.94 -23.84 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 HG21 ' A' ' 69' ' ' VAL . 47.7 mt -91.54 -48.42 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -52.22 -44.34 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -55.25 -25.56 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -19.19 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtm -94.28 23.26 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.18 36.51 63.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG21 HD23 ' A' ' 73' ' ' LEU . 85.3 mt -142.56 113.01 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.81 142.67 33.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.688 HD21 ' HG2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -90.82 -31.7 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -22.49 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.16 -30.91 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.401 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 28.5 m0 -56.75 -32.92 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -80.2 -19.38 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.56 39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.53 -178.09 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -117.41 102.81 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.15 104.44 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -90.11 123.72 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.4 mm? -99.32 103.65 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.59 -177.63 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.06 -173.21 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.74 -15.77 58.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.89 0.02 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.73 34.14 28.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -128.12 165.21 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 51' ' ' VAL . 7.3 tt0 -102.03 61.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.85 -175.84 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -114.62 62.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 t -77.27 -165.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -46.01 -45.89 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.85 178.19 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 22' ' ' VAL . 1.4 mtt -147.75 156.62 42.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.62 120.4 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 104.72 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.07 115.91 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -64.61 -15.3 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.8 p90 -107.97 155.06 40.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.9 Cg_endo -69.74 167.56 24.07 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -55.69 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.615 0.722 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.1 Cg_endo -69.75 -38.04 8.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.36 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 3' ' ' ILE . 8.5 mt 55.74 38.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.13 3.98 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.75 -75.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 7' ' ' THR . 2.9 t -80.24 161.94 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 67.61 145.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -153.45 129.03 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.64 53.3 2.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -96.94 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -70.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 16' ' ' VAL . 13.2 t -175.79 176.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' CB ' ' A' ' 1' ' ' ALA . 2.4 t -82.65 161.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.9 m95 61.9 17.32 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.94 -51.26 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -102.2 -24.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' ILE . 9.3 pt20 -60.11 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.9 40.59 63.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -153.81 170.74 20.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.1 mptp? -150.41 -177.2 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -128.07 119.68 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 103' ' ' MET . 95.8 t -121.71 127.18 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.753 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -103.04 155.22 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 23' ' ' ARG . 7.9 mm -128.52 122.14 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -161.37 86.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -120.97 -79.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER 176.5 123.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD21 ' HE2' ' A' ' 88' ' ' PHE . 2.1 mp -133.61 -56.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' HD13 ' A' ' 78' ' ' ILE . 0.9 OUTLIER -126.65 -175.99 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.16 -41.63 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.94 -35.02 11.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 66' ' ' LEU . 11.5 m -114.37 51.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.77 -36.71 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -23.02 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 66' ' ' LEU . 99.3 t -67.7 -23.16 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.43 9.22 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -120.66 -30.5 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.17 -21.05 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -6.31 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -179.3 84.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 -37.88 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.74 135.3 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.44 156.0 45.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.5 p -146.1 134.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.1 pt-20 -71.03 -175.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 0.08 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.38 71.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -136.39 156.86 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.499 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.09 155.17 25.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 97' ' ' GLU . 14.8 t -62.46 -16.71 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -91.24 -24.36 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 49' ' ' THR . 10.7 m-85 -71.36 -23.26 61.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -19.8 62.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.72 13.22 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.15 -41.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.0 t -79.98 -22.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -69.19 -34.11 74.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' OE2' ' HB3' ' A' ' 59' ' ' ALA . 2.6 mm-40 -97.25 -37.79 9.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.18 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 58' ' ' VAL . 59.0 t -87.8 -28.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 80' ' ' LEU . 94.0 t -69.7 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -57.93 -21.13 42.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -92.47 -22.52 19.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 32' ' ' VAL . 11.1 tp -116.76 63.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 5.4 mm-40 -126.97 36.33 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -159.03 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -11.2 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.82 -13.71 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.4 pp -100.79 -14.73 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 72' ' ' LEU . 6.9 mt -90.63 -22.97 20.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -10.26 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -93.53 -12.51 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 78' ' ' ILE . 4.1 ptp -106.47 -19.98 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.46 -26.98 5.1 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.591 HD12 ' SD ' ' A' ' 76' ' ' MET . 95.6 mt -69.16 106.73 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.69 131.62 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 80' ' ' LEU . 2.0 tm? -90.29 -31.82 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -22.27 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.4 pt-20 -78.57 -30.82 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CZ3' HD23 ' A' ' 66' ' ' LEU . 28.2 m0 -54.13 -34.81 61.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -27.98 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.7 m -114.38 39.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.37 -169.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -123.51 97.84 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HE2' HD21 ' A' ' 28' ' ' LEU . 4.9 m-85 -95.59 108.93 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -90.42 134.3 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.4 mm? -88.96 152.07 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -153.5 174.31 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.95 -178.89 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.81 -12.64 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.17 47.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.02 30.64 65.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -128.84 158.09 39.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' VAL . 3.9 mt-10 -80.44 86.04 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.26 166.4 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -115.85 60.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.27 -167.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.6 -29.76 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -150.62 134.0 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.7 ptt? -127.25 132.52 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -79.92 148.2 31.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.3 p -116.54 98.29 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.76 150.19 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -57.22 4.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.406 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -52.39 154.88 4.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.69 0.757 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.24 . . . . 0.0 112.374 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.43 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.91 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.522 0.677 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.0 Cg_endo -69.76 -29.82 23.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 54.17 179.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -72.92 -5.18 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.74 -53.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 7' ' ' THR . 3.1 t -111.86 161.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.414 ' N ' HG12 ' A' ' 6' ' ' VAL . 33.0 m 65.5 149.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -163.49 137.81 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.9 59.6 6.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -112.24 -34.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.66 -65.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 15' ' ' GLU . 14.3 t -175.7 174.94 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.3 t -95.08 164.23 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.422 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.4 m95 63.11 16.46 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' ' 12' ' ' THR . 35.8 mm-40 -137.24 -41.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.85 -36.95 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' OE1' ' HB1' ' A' ' 1' ' ' ALA . 7.9 pt20 -51.75 -30.31 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.38 78.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -154.77 174.79 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.4 mptp? -149.19 -176.09 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -140.55 92.95 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG21 ' HG2' ' A' ' 103' ' ' MET . 12.0 p -105.55 137.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.08 152.76 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 mm -113.65 136.72 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 100.0 m -161.76 82.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -120.09 -81.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 174.54 138.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 27' ' ' GLU . 2.1 mm? -137.64 -58.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD2' HG23 ' A' ' 32' ' ' VAL . 44.0 t0 -132.35 152.33 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.57 -20.53 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 -22.2 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 32' ' ' VAL . 47.2 t -115.87 60.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.22 -29.7 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -13.56 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 66' ' ' LEU . 61.8 t -74.31 -23.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -110.41 7.95 23.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -110.1 -33.89 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.79 -43.33 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -13.97 61.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HB2' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER 178.7 94.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 p -139.76 -41.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.83 132.14 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -141.25 149.59 41.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 152.43 21.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.4 p -147.98 133.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 pt-20 -70.08 -175.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -0.04 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.85 72.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.54 155.42 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.92 156.88 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.86 -17.21 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -89.87 -23.5 21.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -31.71 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' HA ' HG12 ' A' ' 57' ' ' VAL . 9.8 m-85 -75.42 -18.12 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.46 -6.79 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 -16.36 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -99.74 -21.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 95.8 t -86.28 -23.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.37 -14.23 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.83 0.33 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.14 -51.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.492 HG13 HD13 ' A' ' 66' ' ' LEU . 63.9 t -53.7 -45.43 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.624 HG13 ' CD1' ' A' ' 80' ' ' LEU . 59.4 t -59.7 -42.37 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.95 -50.16 74.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.718 HG21 ' HB2' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -66.73 -44.09 82.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 36' ' ' LEU . 7.9 mp -82.88 54.36 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.732 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mm100 -126.67 36.34 0.33 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.79 -49.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -158.98 67.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -61.33 -18.03 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -22.59 54.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.0 pp -97.75 -38.1 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.711 HD23 HG21 ' A' ' 78' ' ' ILE . 10.3 mp -53.99 -38.08 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -23.25 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -77.73 -29.87 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 ptp -89.53 -27.29 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.72 -42.7 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 73' ' ' LEU . 88.5 mt -55.58 130.04 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.42 120.07 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.624 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -71.34 -12.15 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -22.01 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 85' ' ' VAL . 13.7 pt-20 -88.85 -26.22 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.702 ' CH2' HD12 ' A' ' 28' ' ' LEU . 6.4 m0 -56.65 -36.98 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -75.34 -28.55 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.5 m -112.54 39.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.56 -179.72 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' CE2' ' A' ' 89' ' ' TYR . 3.2 m -105.09 96.42 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.41 143.71 26.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 87' ' ' THR . 91.6 m-85 -129.42 170.28 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.72 167.97 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -164.07 -178.23 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.67 -178.94 6.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.15 -11.19 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.63 5.35 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.65 62.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -129.55 155.23 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.8 tt0 -90.52 70.52 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -114.24 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -120.12 59.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.67 -169.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 m -51.94 -29.15 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -148.52 133.65 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.582 ' HG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -136.01 131.51 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -79.82 132.97 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.8 t -101.46 103.34 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.19 169.9 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -107.76 0.63 22.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.437 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.0 p90 -113.16 155.18 44.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.34 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.75 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.545 0.688 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.4 Cg_endo -69.75 -7.5 21.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 7' ' ' THR . 2.7 mt -88.39 167.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.504 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.3 ptmt -64.79 -10.94 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -82.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.41 59.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.743 HG21 ' CG2' ' A' ' 16' ' ' VAL . 18.8 m -162.26 145.96 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -174.89 126.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.47 34.35 19.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 7' ' ' THR . 16.8 mm-40 -82.32 -49.93 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.0 -68.26 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.56 ' O ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -176.13 178.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.81 162.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.4 m95 61.76 18.09 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.36 -40.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.743 ' CG2' HG21 ' A' ' 7' ' ' THR . 13.7 p -125.53 -31.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -49.92 -47.25 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.45 35.91 10.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 44' ' ' THR . 6.5 m-85 -153.12 164.52 37.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.47 -175.68 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.05 107.43 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 103' ' ' MET . 7.6 p -109.91 130.26 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 153.01 24.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.56 135.03 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.48 79.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -120.65 -79.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER 175.45 145.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -152.31 -55.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.01 -179.73 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.76 -44.17 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -89.83 -31.37 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 m -117.98 49.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.19 -44.01 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.61 -22.09 63.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' HD3' ' A' ' 34' ' ' LYS . 90.4 t -60.44 -17.99 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 66' ' ' LEU . 1.5 pp -120.7 3.8 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.16 -6.27 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.89 -37.49 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 23.43 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 48.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 p -109.1 -33.77 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.15 137.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -142.07 161.56 37.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.539 HG22 ' HD1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -109.16 155.8 20.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.6 p -151.27 127.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.05 -24.8 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.8 83.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -139.99 166.63 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.42 156.28 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.5 t -62.07 -17.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.5 t -90.41 -24.78 20.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.588 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.2 m-85 -75.62 -18.87 59.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.18 -3.88 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.23 -7.7 11.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.0 p -104.53 -23.34 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' PHE . 56.7 t -89.95 -21.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.42 -28.79 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.65 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.89 1.57 53.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -110.13 -19.73 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 46.7 t -74.73 1.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.65 -18.71 13.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -112.7 -24.91 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 36' ' ' LEU . 3.5 mm? -107.09 34.28 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.721 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -125.61 37.11 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 72' ' ' LEU . 6.3 m -148.34 70.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -55.53 -29.8 59.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -17.07 58.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 HG21 ' A' ' 69' ' ' VAL . 38.6 mt -101.55 -36.12 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.96 -40.2 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 m -53.99 -33.89 58.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.49 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -93.73 17.91 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.56 33.7 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG23 ' CZ2' ' A' ' 83' ' ' TRP . 4.3 mt -137.68 111.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.33 129.73 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 1.4 tm? -82.91 -27.0 30.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -23.26 45.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.8 pt-20 -88.14 -30.18 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 78' ' ' ILE . 18.8 m0 -58.82 -25.74 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -87.38 -24.47 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.2 m -116.17 39.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.5 179.52 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -105.34 96.79 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.97 109.77 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -91.92 161.61 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.3 mp -140.25 136.37 33.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.2 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 -167.29 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.27 0.16 38.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.12 1.13 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.4 32.92 18.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -121.23 148.53 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.585 ' HG2' HG11 ' A' ' 51' ' ' VAL . 2.9 tt0 -80.96 74.94 7.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -122.54 -177.23 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -118.94 60.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.6 p -79.83 175.17 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -39.06 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -126.24 116.79 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -130.17 129.24 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -79.74 128.94 34.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.3 t -99.66 104.66 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.75 167.43 9.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -42.64 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -66.95 154.39 92.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.713 0.768 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.81 23.27 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.08 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.569 0.699 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.9 Cg_endo -69.8 72.52 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.607 HG21 ' O ' ' A' ' 7' ' ' THR . 30.7 mt -86.24 157.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.56 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.33 -78.94 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.55 86.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.607 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -157.3 147.39 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -174.52 130.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.16 59.07 8.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB2' HG11 ' A' ' 16' ' ' VAL . 4.0 mm-40 -98.73 -37.84 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -170.95 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.0 t -165.62 174.16 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.26 163.46 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 m95 61.42 17.9 8.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -138.87 -39.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -124.28 -30.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.71 -45.67 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.47 35.62 11.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -153.74 161.23 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -136.51 -176.04 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -135.86 105.49 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 103' ' ' MET . 4.9 p -112.58 133.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -100.41 166.78 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 103' ' ' MET . 5.0 mt -143.51 141.74 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' THR . 5.9 t -178.99 93.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -121.83 -74.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.627 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 174.5 114.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 27' ' ' GLU . 5.6 mp -130.11 -58.19 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.83 -179.29 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 -33.21 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -103.37 -34.95 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.0 m -116.67 40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -87.99 -34.02 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -65.77 -18.54 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 39' ' ' LYS . 91.9 t -62.85 -21.03 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.1 pp -120.79 7.59 10.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -13.06 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.96 -57.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -90.85 16.43 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.55 57.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -31.04 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.15 143.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.67 168.97 18.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 144.1 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.16 122.07 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -91.32 -0.0 57.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.77 69.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.15 148.35 49.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.137 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.04 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.3 t -70.11 -15.15 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -91.09 -26.94 18.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -64.07 -34.51 78.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.1 m-85 -69.02 -23.51 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.59 -6.81 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.13 -14.05 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -103.78 -22.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 54' ' ' PHE . 44.7 t -94.72 -16.25 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.68 0.2 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -112.42 -33.39 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.79 -42.92 26.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.5 m -53.27 -43.23 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.789 HG13 HD11 ' A' ' 80' ' ' LEU . 76.6 t -56.06 -47.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -50.95 -57.02 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.595 HG21 ' HG3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -65.12 -28.43 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -98.39 47.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.728 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.6 mm100 -126.82 36.44 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.74 -49.63 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.679 HG21 HD12 ' A' ' 72' ' ' LEU . 3.2 m -154.87 65.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -25.13 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -57.97 -22.69 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 69' ' ' VAL . 85.1 mt -87.86 -46.71 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.582 HD23 ' CE ' ' A' ' 76' ' ' MET . 12.7 mt -51.82 -46.03 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -30.28 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -20.27 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.582 ' CE ' HD23 ' A' ' 73' ' ' LEU . 77.1 mtm -94.01 19.59 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.68 37.53 84.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.0 mt -142.97 110.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 129.34 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.789 HD11 HG13 ' A' ' 63' ' ' VAL . 1.7 tm? -89.69 -31.8 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -22.14 61.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.2 pt-20 -78.51 -30.75 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.699 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -50.24 -52.6 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -43.44 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.63 35.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.51 -173.81 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -110.71 100.92 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.57 126.37 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -109.27 137.9 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.9 mm? -99.23 147.84 24.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -156.25 -178.71 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -146.59 -175.31 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.45 -6.41 46.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.2 4.24 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.12 34.61 86.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.28 157.83 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.1 tt0 -91.18 80.59 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -127.47 -179.72 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -114.67 59.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.31 -168.73 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.61 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.49 133.59 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 24' ' ' ILE . 12.2 ttp -128.89 106.92 9.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.44 161.23 26.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.6 94.63 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 145.52 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -86.22 -2.66 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.427 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -112.98 154.93 44.85 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.735 0.778 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -49.52 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.592 0.71 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 70.4 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 7' ' ' THR . 18.3 mt -90.22 160.15 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.42 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 92.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t 52.99 91.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.716 ' O ' HG21 ' A' ' 3' ' ' ILE . 33.0 m -162.67 153.11 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -163.0 127.56 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.88 72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 16' ' ' VAL . 18.2 mm-40 -110.0 -27.59 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -171.42 -63.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -175.93 179.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.38 163.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.1 m95 61.47 17.45 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.73 -37.38 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -121.53 -34.71 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.94 -42.55 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.8 17.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -156.09 177.64 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 0.0 110.948 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -175.97 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -145.07 107.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.59 141.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -127.09 149.04 50.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -105.91 127.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -161.38 81.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -121.11 -76.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.3 pt-20 -176.67 137.32 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -157.67 -56.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.95 171.76 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.37 -28.37 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 -41.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.4 m -110.76 39.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -83.5 -45.74 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -24.01 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.17 -18.22 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.2 pp -118.6 8.28 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -117.73 -20.8 8.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.32 -33.32 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -34.79 77.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 86.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 -18.04 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.35 142.01 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 168.83 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.28 135.18 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.88 121.44 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 t -86.63 -0.01 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.65 67.23 0.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 111.118 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.87 170.06 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 97' ' ' GLU . 6.3 t -67.73 -13.85 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -92.88 -28.41 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.8 tt0 -60.24 -34.99 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HA ' HG12 ' A' ' 57' ' ' VAL . 11.4 m-85 -68.98 -27.35 65.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.29 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -17.22 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.5 p -100.33 -17.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.4 t -89.19 -24.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.28 -17.68 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -101.24 0.52 37.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.01 1.15 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 58' ' ' VAL . 17.6 m -109.63 -39.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 80' ' ' LEU . 85.5 t -68.26 -67.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -27.8 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 HD12 ' A' ' 66' ' ' LEU . 95.1 m -77.83 -33.93 52.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 32' ' ' VAL . 8.7 mp -110.81 65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.703 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.9 mm-40 -126.75 36.84 0.35 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.3 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -152.49 67.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -22.2 59.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.09 -23.49 47.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.86 -46.46 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD23 HG21 ' A' ' 78' ' ' ILE . 7.0 mp -55.5 -33.81 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.484 HG23 ' OD1' ' A' ' 79' ' ' ASP . 47.9 m -63.13 -20.54 65.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -103.99 -15.84 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.6 mtm -91.62 16.09 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.04 -12.9 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.508 HG21 HD23 ' A' ' 73' ' ' LEU . 2.7 mp -96.09 83.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 74' ' ' THR . 5.0 t0 -85.74 98.66 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -48.85 -34.24 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -28.49 23.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.2 pt-20 -89.56 -30.78 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -52.69 -40.51 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -42.18 75.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -99.94 35.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.61 -176.36 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 98.52 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.53 94.99 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -79.4 122.98 27.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.1 mm? -80.51 142.5 34.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -150.13 -178.38 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -140.48 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.05 -2.03 53.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.01 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -130.68 141.69 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' HG2' HG11 ' A' ' 51' ' ' VAL . 5.2 tt0 -82.08 76.27 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -124.3 -177.09 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.37 60.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -79.19 -165.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -134.72 -174.44 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.1 mtm -163.3 147.76 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -114.14 141.65 47.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.7 p -109.81 100.72 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.89 139.05 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -71.14 -10.33 59.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -112.34 154.92 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.665 0.745 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.3 Cg_endo -69.72 167.59 23.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.46 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.83 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.732 ' HG3' HG21 ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.76 -37.05 9.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 25.9 mt 64.7 154.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -161.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.93 -85.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -127.84 93.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -163.74 173.4 12.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' H ' HG22 ' A' ' 7' ' ' THR . 4.1 p90 -149.93 -173.43 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.59 101.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -117.68 -28.05 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.87 -56.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.733 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.3 t 179.3 159.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.69 162.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m95 62.18 17.06 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.0 mm-40 -141.37 -50.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 12' ' ' THR . 7.1 p -98.47 -26.02 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -62.21 -30.08 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.44 38.65 69.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -154.7 177.91 10.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.984 0.421 . . . . 0.0 110.928 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.82 -175.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -131.83 125.77 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 103' ' ' MET . 96.2 t -134.33 122.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 138.71 42.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 103' ' ' MET . 22.9 mm -106.49 125.39 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -152.95 76.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -120.37 -76.83 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 143.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 tp -150.83 -55.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.84 -179.19 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.1 -33.2 3.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -103.87 -18.89 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.632 ' CG2' HD21 ' A' ' 66' ' ' LEU . 5.9 m -134.42 49.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -52.52 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 35' ' ' VAL . 62.0 t -65.73 -14.45 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -120.25 1.74 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -13.78 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.48 -32.72 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p 179.67 88.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -7.1 15.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 p -93.06 142.72 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -143.22 159.71 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.732 HG21 ' HG3' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -101.75 138.0 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 54' ' ' PHE . 93.6 t -118.69 121.95 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.05 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -75.51 -39.16 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.03 82.61 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.15 164.64 22.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.507 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -108.77 155.68 20.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.42 -16.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -90.23 -20.99 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.37 71.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.7 m-85 -75.02 -16.75 60.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.94 48.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.97 -15.37 13.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.4 p -105.48 -29.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 62' ' ' VAL . 96.3 t -83.39 -21.59 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -86.4 -4.81 59.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.4 -45.37 62.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 16.5 m -55.66 -24.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' ALA . 54.2 t -84.74 -61.59 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -20.11 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -92.87 0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.65 HD22 ' CH2' ' A' ' 83' ' ' TRP . 0.1 OUTLIER -133.72 55.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.716 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.5 mt-30 -125.57 37.06 0.35 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.635 0.731 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.753 2.302 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.8 m -153.78 59.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -69.32 -10.93 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -65.1 -15.26 62.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD12 ' HE2' ' A' ' 76' ' ' MET . 2.7 pp -101.56 -37.81 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 72' ' ' LEU . 54.8 mt -56.39 -33.87 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -17.11 60.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -20.36 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HE2' HD12 ' A' ' 72' ' ' LEU . 3.9 ptp -102.57 -26.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.92 -33.83 2.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 124.35 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.06 141.42 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -91.25 -35.33 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -15.97 60.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.7 pt-20 -89.88 -30.14 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.65 ' CH2' HD22 ' A' ' 66' ' ' LEU . 25.0 m0 -50.56 -43.98 56.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -44.6 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -97.48 35.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.26 179.58 4.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -100.66 91.02 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.15 115.01 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -99.42 121.86 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' SD ' ' A' ' 103' ' ' MET . 3.7 mm? -85.02 148.81 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -151.99 166.64 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -168.39 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.83 -0.23 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.85 4.01 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.7 39.75 33.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -141.76 159.93 41.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.88 84.92 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.71 168.51 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.71 56.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.5 p -79.05 -168.25 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -49.34 -31.06 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -134.07 159.68 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.777 ' HE2' HG11 ' A' ' 22' ' ' VAL . 5.3 mtm -146.0 120.32 9.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -79.75 126.88 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 103.8 13.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.76 158.87 16.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -87.71 -6.45 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.422 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.76 155.01 43.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.706 0.765 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.71 167.53 24.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.375 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -55.6 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.0 Cg_endo -69.74 77.58 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -94.77 142.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.02 -156.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.66 -21.27 6.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.4 t -146.48 21.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.07 137.4 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -157.54 128.0 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.72 54.72 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -107.97 -43.34 4.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.0 -66.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -175.74 174.26 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.31 164.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m95 61.87 17.38 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.83 -37.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 -35.06 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -49.65 -43.76 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.48 36.67 16.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -149.23 162.88 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.814 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -139.52 -178.62 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -131.02 126.85 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.39 133.76 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 158.09 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 103' ' ' MET . 39.0 mm -125.22 129.04 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.33 80.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -120.2 -76.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.12 105.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD21 ' SG ' ' A' ' 105' ' ' CYS . 3.3 mm? -111.88 -57.59 2.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.45 -179.31 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -27.21 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HD2' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.01 -40.48 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 31' ' ' ARG . 28.6 m -113.32 48.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.58 -40.23 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.86 -20.69 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' HD3' ' A' ' 34' ' ' LYS . 30.3 t -65.11 -14.46 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -116.33 -1.34 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.82 -19.52 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -113.95 -30.35 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -79.06 -28.12 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.94 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.89 141.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -146.04 161.15 40.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 147.94 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.74 108.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 178.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -87.1 0.12 55.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.69 -15.06 6.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.31 144.43 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 111.112 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.29 168.57 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.08 -14.74 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -91.5 -26.67 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.22 -34.79 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.8 m-85 -69.93 -22.9 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.8 -2.66 37.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -1.94 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -111.13 -21.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 62' ' ' VAL . 53.2 t -95.12 -45.98 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.79 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.07 -53.05 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.87 -33.18 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.4 m -66.4 -39.15 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.627 HG13 HD23 ' A' ' 80' ' ' LEU . 75.2 t -50.9 -69.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -49.88 56.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -54.42 -32.12 56.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 36' ' ' LEU . 10.9 mt -115.71 61.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.5 OUTLIER -127.26 36.08 0.32 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.4 m -156.0 66.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 73' ' ' LEU . 73.5 m -73.79 -7.52 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.88 -18.99 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.604 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.6 pp -96.18 -38.64 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HG ' ' A' ' 72' ' ' LEU . 9.8 mp -53.15 -42.6 66.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.502 HG23 ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -59.23 -20.66 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -30.17 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.54 ' SD ' HD12 ' A' ' 78' ' ' ILE . 5.4 ptp -91.36 -13.2 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.36 -46.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.54 HD12 ' SD ' ' A' ' 76' ' ' MET . 49.1 mt -59.04 125.35 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CG ' HG23 ' A' ' 74' ' ' THR . 11.2 t0 -128.35 106.45 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.627 HD23 HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -49.48 -31.08 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -25.19 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -88.52 -31.9 18.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.468 ' HZ3' HD12 ' A' ' 66' ' ' LEU . 24.2 m0 -53.87 -29.57 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -25.84 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.53 39.63 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.81 178.51 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -104.38 116.08 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 28' ' ' LEU . 4.2 m-85 -113.7 125.73 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.405 ' O ' HD23 ' A' ' 90' ' ' LEU . 98.1 m-85 -111.24 -174.47 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 105' ' ' CYS . 96.1 mt -151.21 156.01 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -158.08 174.12 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -166.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.89 0.4 55.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.713 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . . . -113.99 -25.74 8.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.69 30.1 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.713 ' OE2' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -125.79 144.61 50.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.9 tt0 -91.49 79.02 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -122.11 -169.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -117.81 54.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -79.91 179.58 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -44.52 62.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 126.31 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HB3' HD13 ' A' ' 24' ' ' ILE . 31.6 ttm -125.58 129.88 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -107.99 117.47 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.619 ' HA ' HD23 ' A' ' 90' ' ' LEU . 26.8 t -80.95 93.9 6.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.4 p -90.17 137.31 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -85.41 -4.34 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.416 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.6 p90 -113.99 154.99 45.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.71 167.49 24.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 72.87 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 30.3 mt -87.14 157.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.35 -172.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.45 96.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t 51.37 88.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -158.51 157.98 33.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -174.77 134.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.73 63.23 4.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 16' ' ' VAL . 27.2 mm-40 -102.35 -38.93 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.0 -61.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 15' ' ' GLU . 2.9 t -179.34 133.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 14' ' ' TRP . 1.6 p -51.18 156.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 4.9 m95 67.61 10.51 7.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.7 OUTLIER -138.98 -37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 10' ' ' GLU . 8.8 p -120.19 -27.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.16 -35.85 38.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.42 35.8 19.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -157.87 163.99 37.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.93 -174.73 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -144.17 115.24 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -128.99 137.78 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.33 163.96 12.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.7 132.54 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -161.84 86.59 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -120.36 -76.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 28' ' ' LEU . 30.5 tt0 -179.68 124.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -139.24 -55.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' HG22 ' A' ' 32' ' ' VAL . 4.1 t70 -134.37 172.29 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.62 -27.92 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -99.21 -24.5 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' OD2' ' A' ' 29' ' ' ASP . 28.6 m -132.53 46.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.98 -50.09 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -16.29 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -63.36 -21.47 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.87 5.99 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.17 -15.1 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.48 -32.54 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -89.62 -10.12 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.63 ' SG ' HG21 ' A' ' 65' ' ' THR . 4.8 p 179.41 84.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.31 -22.44 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.495 HG22 ' NE ' ' A' ' 23' ' ' ARG . 99.0 t -87.1 138.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 33.0 m-85 -135.61 137.8 42.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 126.39 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HE1' ' A' ' 54' ' ' PHE . 81.3 t -112.36 110.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 176.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.54 87.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.86 150.54 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -107.03 157.28 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.64 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.7 t -62.66 -16.33 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -92.07 -23.44 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -63.87 -35.47 80.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HE1' HG13 ' A' ' 45' ' ' VAL . 11.1 m-85 -71.16 -24.69 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.6 -23.06 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 12.39 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' GLU . 92.8 t -120.11 -31.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 11.5 t -94.01 -5.44 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -98.88 -23.1 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.41 -30.79 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.06 0.33 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.628 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 m -105.8 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 59' ' ' ALA . 96.7 t -58.01 -65.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -51.6 -37.71 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.63 HG21 ' SG ' ' A' ' 40' ' ' CYS . 33.8 m -70.03 -31.41 69.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -109.54 49.84 0.81 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mt-30 -127.04 36.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.732 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.4 Cg_endo -69.83 -48.54 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.289 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.56 60.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -66.4 -13.62 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.59 -17.77 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.565 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -95.91 -36.01 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.4 mt -61.26 -32.01 71.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -18.18 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -74.33 -24.33 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.3 -24.63 13.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.76 -34.38 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.78 109.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 132.92 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -90.94 -33.15 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -21.7 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.65 -30.61 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.49 ' HZ3' HD13 ' A' ' 66' ' ' LEU . 34.9 m0 -53.01 -39.97 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -71.68 -31.55 66.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.0 m -111.28 39.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.38 -174.56 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -110.61 100.91 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -97.97 110.06 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -94.81 135.41 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.4 mm? -96.26 139.18 32.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -148.53 -178.49 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.54 -174.87 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -73.26 -6.42 45.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.1 1.52 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.79 29.75 69.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -133.09 157.48 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.64 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.3 tt0 -90.72 77.69 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -121.62 -176.21 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.505 ' HD1' HG22 ' A' ' 51' ' ' VAL . 7.9 p90 -120.14 60.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -79.42 -174.92 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -29.32 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 129.37 36.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptm -129.07 125.43 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -82.59 163.68 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.4 p -120.13 92.07 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.99 139.28 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -78.9 -36.44 42.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.43 154.46 93.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.761 . . . . 0.0 110.906 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.55 24.09 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -55.68 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.49 -56.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.4 Cg_endo -69.8 73.52 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 7' ' ' THR . 36.6 mt -85.65 144.64 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -86.46 143.32 27.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.91 -89.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -168.24 27.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -72.84 167.22 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -174.39 133.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.78 77.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -109.86 -56.25 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.84 -46.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 15' ' ' GLU . 9.4 t -169.91 164.28 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.2 t -89.84 163.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.0 m95 62.91 16.6 9.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mm-40 -135.21 -41.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.42 -35.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.87 -29.87 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.62 39.91 86.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -153.73 173.81 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.46 -175.53 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -142.84 107.71 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 103' ' ' MET . 9.6 p -118.86 153.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 156.58 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG21 ' SG ' ' A' ' 105' ' ' CYS . 16.3 mm -111.34 140.33 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -160.88 64.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -120.73 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.606 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 pt-20 -179.08 159.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.681 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -172.0 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.42 -174.42 3.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.34 -33.41 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -31.88 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.85 39.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.81 -48.4 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.51 -13.84 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG23 ' HD3' ' A' ' 34' ' ' LYS . 86.8 t -71.25 -20.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.5 3.62 10.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.57 -24.12 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -120.1 -32.27 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -28.85 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.98 86.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.16 -10.5 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -88.58 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -144.23 150.48 38.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.65 142.62 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 54' ' ' PHE . 75.8 t -126.87 113.24 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 174.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.95 0.03 57.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.55 63.31 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.3 t -122.87 -171.69 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.163 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.4 OUTLIER -130.06 158.72 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 97' ' ' GLU . 21.1 t -59.23 -20.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.9 t -84.34 -25.82 28.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.88 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' HA ' HG12 ' A' ' 57' ' ' VAL . 13.6 m-85 -69.49 -18.4 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.07 -6.0 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -11.6 13.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.5 p -105.9 -27.92 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 58' ' ' VAL . 29.3 t -91.08 -7.87 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.92 0.02 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -118.27 -8.38 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . . . -105.61 2.11 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.01 -19.38 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.598 HG13 HD12 ' A' ' 80' ' ' LEU . 21.4 t -71.41 1.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -121.96 -7.02 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -121.11 -10.5 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 4.0 mm? -107.49 15.74 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.39 36.81 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.74 -25.22 28.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -153.89 53.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 m -58.62 -17.75 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -57.32 -20.76 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.4 pp -103.18 -36.73 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' HG ' ' A' ' 72' ' ' LEU . 6.7 mp -65.67 -38.55 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -69.14 -16.95 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 13.5 ptp -86.16 -28.46 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -23.2 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.7 mt -80.01 111.4 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.9 t0 -111.82 101.7 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.598 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -49.27 -30.79 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -28.38 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.8 pt-20 -88.37 -33.05 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.526 ' HB2' HD13 ' A' ' 80' ' ' LEU . 9.4 m0 -51.67 -42.54 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -40.8 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.5 p -100.62 34.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.0 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -113.66 100.25 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -88.35 125.54 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -110.17 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.49 163.45 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -162.47 164.76 26.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.92 -175.21 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -11.12 60.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.28 4.47 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.44 33.88 63.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -133.58 158.95 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -81.81 86.25 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -128.04 169.79 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -120.01 59.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -168.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -44.55 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -110.3 148.3 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 22' ' ' VAL . 4.7 mtt -132.42 147.09 52.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -119.51 133.01 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.2 m -99.85 102.29 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -100.24 118.14 35.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -65.19 -16.51 63.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.1 p90 -105.8 154.9 39.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.77 23.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.04 2.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.97 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.584 0.707 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -32.98 17.47 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt 64.64 152.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -57.21 133.11 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.11 38.88 8.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 6' ' ' VAL . 9.6 t 44.65 36.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 8' ' ' PHE . 7.0 m -84.21 157.29 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' N ' HG22 ' A' ' 7' ' ' THR . 42.6 p90 -158.38 131.18 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -110.21 -54.32 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -164.41 -64.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' HG12 ' A' ' 16' ' ' VAL . 12.9 t -164.72 170.35 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.11 163.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.9 m95 61.69 17.72 8.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.8 OUTLIER -137.62 -39.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 12' ' ' THR . 12.2 p -125.02 -31.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -50.77 -45.53 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.1 35.67 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -147.31 176.64 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.418 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 44' ' ' THR . 0.8 OUTLIER -151.65 -176.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -140.39 114.16 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -129.32 152.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 155.43 43.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 103' ' ' MET . 2.7 mp -133.81 131.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -161.41 82.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -120.34 -75.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 178.97 131.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -55.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.567 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -126.69 177.96 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 -16.86 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.434 HH12 HD21 ' A' ' 72' ' ' LEU . 2.1 ptm180 -120.83 3.12 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 32' ' ' VAL . 3.1 p -162.33 38.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -39.54 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.667 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -66.13 -16.13 63.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' HD3' ' A' ' 34' ' ' LYS . 19.9 t -77.08 -12.62 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -120.68 3.68 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -120.5 -18.22 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.45 -28.79 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 -7.59 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p 179.77 85.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p -116.27 -18.05 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.26 139.9 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -139.38 153.77 47.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.1 m -99.95 136.5 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -116.66 121.08 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -54.32 176.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -26.45 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.832 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.13 83.81 0.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -132.1 156.02 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.113 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -114.67 152.27 32.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 99' ' ' PHE . 15.6 t -62.05 -17.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.0 t -93.28 -17.88 23.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -35.2 77.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 49' ' ' THR . 8.7 m-85 -72.98 -21.85 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.27 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 12.49 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.24 -31.81 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -93.15 -4.22 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.81 -6.87 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -112.9 -49.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -41.28 69.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 36' ' ' LEU . 93.8 t -60.81 -45.31 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.75 HG13 HD22 ' A' ' 80' ' ' LEU . 84.0 t -55.16 -42.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -48.92 -68.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -20.51 55.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 80' ' ' LEU . 10.5 mp -109.3 51.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.1 mm-40 -126.95 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.76 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HB ' HD23 ' A' ' 72' ' ' LEU . 1.1 m -158.1 70.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.698 ' CB ' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.23 -5.7 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -73.06 -14.56 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.743 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.5 pp -99.92 -38.47 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.743 HD12 ' HG ' ' A' ' 72' ' ' LEU . 8.3 mp -57.23 -42.87 82.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -59.74 -21.35 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -79.24 -32.29 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE3' ' HG ' ' A' ' 73' ' ' LEU . 5.7 ptp -87.88 -22.58 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 -42.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 73' ' ' LEU . 83.7 mt -63.13 118.92 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.37 135.7 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.75 HD22 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -90.7 -33.9 15.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -20.0 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -83.33 -30.66 27.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -51.61 -43.19 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -35.87 78.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.2 m -106.31 38.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 -176.0 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -113.97 98.18 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -90.43 118.33 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -102.09 125.43 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.5 mm? -100.9 90.1 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.99 -179.63 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -167.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.69 0.1 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.42 -3.55 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.81 35.61 8.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.35 156.73 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.86 69.57 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -119.98 131.4 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.11 57.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -77.95 -169.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -50.57 -31.61 16.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -133.22 130.54 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.0 ptt? -132.84 116.5 16.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -79.75 136.69 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.506 ' SG ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -93.54 89.0 6.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.31 127.53 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -72.24 -10.3 59.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.9 p90 -113.04 154.94 44.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.685 0.755 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.77 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.399 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.79 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.56 0.695 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.8 Cg_endo -69.74 73.73 1.34 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.6 mt -87.53 157.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.29 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.71 95.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t 53.8 91.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.572 HG21 ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -160.22 163.66 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -174.55 145.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 74.59 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.687 ' HB3' HG21 ' A' ' 16' ' ' VAL . 8.9 mt-10 -113.56 -43.08 3.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.7 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.721 ' O ' HG12 ' A' ' 16' ' ' VAL . 8.7 t -164.58 160.49 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.1 162.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.6 m95 62.39 17.12 9.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.5 OUTLIER -142.95 -46.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 12' ' ' THR . 8.6 p -102.89 -27.93 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.32 40.43 55.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -155.0 170.94 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.969 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -151.14 163.6 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -117.15 128.16 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.58 125.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -100.44 161.81 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.6 mm -121.27 139.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.6 m -161.35 75.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -121.27 -78.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 174.99 156.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -163.12 -54.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -138.7 -178.64 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.23 -42.78 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -77.44 -21.87 52.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.696 ' CG2' HD13 ' A' ' 66' ' ' LEU . 15.6 m -138.12 45.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.6 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.81 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.92 -14.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -1.37 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.13 -15.36 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -115.15 -30.91 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -86.55 -16.27 37.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 p -176.59 84.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -113.1 -13.35 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.616 HG22 ' NE ' ' A' ' 23' ' ' ARG . 93.0 t -90.12 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 144.42 42.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.3 p -132.61 115.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 149.47 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -25.39 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 73.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -140.75 165.42 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.701 0.286 . . . . 0.0 111.153 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -112.43 153.09 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' HG2' ' A' ' 97' ' ' GLU . 13.9 t -61.73 -18.22 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.8 t -90.66 -22.83 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -64.58 -32.45 74.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CE1' HG23 ' A' ' 45' ' ' VAL . 6.3 m-85 -77.27 -19.77 56.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.43 -17.76 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 16.06 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 53' ' ' GLU . 88.6 t -120.13 -32.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.1 t -90.36 -19.87 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -73.08 -25.2 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.13 -41.79 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.0 96.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.8 m -58.61 -38.94 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 80' ' ' LEU . 90.6 t -62.07 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.16 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -77.7 -36.18 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' CZ3' ' A' ' 83' ' ' TRP . 13.3 mt -107.05 60.9 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.736 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mm100 -127.17 35.7 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.69 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 68' ' ' PRO . 3.2 m -155.98 74.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -60.59 -18.7 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -57.53 -19.92 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.51 -55.13 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.516 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -52.67 -40.58 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -70.9 -24.94 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -75.46 -29.77 59.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.5 mtm -89.41 -30.19 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.2 -36.16 1.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.89 108.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 131.76 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.649 ' CD1' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -90.87 -30.42 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -16.64 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.5 pt-20 -84.92 -30.7 24.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.735 ' CZ3' HD12 ' A' ' 66' ' ' LEU . 16.5 m0 -49.91 -50.93 44.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -43.49 93.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.3 p -97.13 35.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 82' ' ' GLU . . . -117.76 163.0 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 t -89.23 138.75 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -129.58 121.76 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.51 171.17 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.712 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.3 mp -141.73 155.29 45.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -155.06 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -137.65 -169.26 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.95 2.47 51.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.24 -7.64 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.52 33.09 20.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.567 ' HG3' ' ND2' ' A' ' 98' ' ' ASN . 11.2 pt-20 -143.09 142.1 31.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.642 ' HG2' HG11 ' A' ' 51' ' ' VAL . 13.1 tt0 -83.87 91.15 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.567 ' ND2' ' HG3' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -136.63 -169.29 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -111.04 60.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -178.5 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -49.99 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -124.62 121.84 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.712 ' CE ' HD22 ' A' ' 90' ' ' LEU . 7.0 ptm -115.84 130.26 56.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -85.03 139.65 31.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB2' HG21 ' A' ' 24' ' ' ILE . 17.1 t -97.08 100.99 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.68 150.5 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -95.44 -0.75 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.42 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.9 p90 -111.16 154.98 43.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.73 167.77 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.377 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.47 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.73 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.67 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.57 -81.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -112.68 91.57 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -160.83 148.93 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -174.7 134.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.97 60.03 8.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -171.04 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 15' ' ' GLU . 13.3 t -176.09 170.35 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.64 163.38 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 m95 62.74 16.67 9.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.3 mm-40 -135.53 -40.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.99 -36.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.03 -30.14 24.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.87 40.09 84.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -154.34 174.47 14.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -151.42 -175.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -135.23 127.03 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 100' ' ' SER . 48.1 t -136.48 147.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.2 160.5 29.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.7 mm -124.03 130.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.0 m -161.37 75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -121.51 -77.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -176.83 134.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.69 -56.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -126.42 -172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.24 -36.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.82 -46.33 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 29' ' ' ASP . 14.7 m -100.91 39.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.62 -42.13 43.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -14.45 61.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 HG22 ' A' ' 65' ' ' THR . 65.9 t -71.82 -19.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.65 3.18 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -120.19 -30.51 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -110.77 -43.85 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.95 -41.44 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.8 86.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.53 -0.98 15.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.44 136.04 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' HG13 ' A' ' 58' ' ' VAL . 34.7 m-85 -143.43 156.25 44.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.2 m -98.73 141.76 31.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.675 HG13 ' CE1' ' A' ' 54' ' ' PHE . 63.3 t -118.96 118.63 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -174.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 t -77.49 -57.01 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.75 90.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -140.86 163.35 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -109.01 157.92 18.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' HD1' ' A' ' 99' ' ' PHE . 10.3 t -64.9 -15.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.8 t -91.12 -24.02 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -32.46 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.675 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.4 m-85 -75.34 -19.26 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.52 -8.67 56.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.5 t -112.38 -14.39 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.66 -24.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 62' ' ' VAL . 94.3 t -89.14 -42.78 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -69.45 -23.65 63.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.35 -34.95 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 58' ' ' VAL . 86.4 t -55.66 -23.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 80' ' ' LEU . 75.0 t -78.62 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -26.38 57.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.653 HG22 HG12 ' A' ' 35' ' ' VAL . 74.3 m -76.31 -24.7 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.715 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.5 mp -119.39 56.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.719 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mt-30 -126.87 36.66 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG21 HD12 ' A' ' 72' ' ' LEU . 4.3 m -153.61 68.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -27.54 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.6 -27.47 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HG21 ' A' ' 69' ' ' VAL . 52.5 mt -86.08 -48.3 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.695 HD12 HD23 ' A' ' 80' ' ' LEU . 12.3 mt -51.38 -49.46 61.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -24.69 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -82.98 -24.01 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtm -92.6 -24.98 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.62 -16.46 5.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 98.5 mt -84.51 114.57 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.79 134.14 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.695 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.0 -29.52 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -23.7 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.66 -31.09 41.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.715 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 22.8 m0 -55.73 -38.8 70.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 p -73.39 -25.07 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.28 39.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.39 171.31 8.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.3 t -95.55 133.9 39.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.7 m-85 -119.2 95.18 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -86.2 105.24 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.0 mm? -80.05 111.9 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.98 172.77 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 -166.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.64 -2.7 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.752 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -107.89 -19.83 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.61 6.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.752 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -124.75 172.21 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.525 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.2 tt0 -84.94 81.55 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.92 158.51 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.633 ' HD1' HG22 ' A' ' 51' ' ' VAL . 12.8 p90 -120.52 58.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' VAL . 8.3 t -79.62 -169.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.79 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -140.8 121.04 13.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 24' ' ' ILE . 10.3 ptt? -125.57 132.42 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -79.14 155.07 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 p -111.24 97.04 6.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.52 140.26 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -80.66 -37.09 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -69.97 154.16 94.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.6 23.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 4' ' ' LYS . 39.7 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.928 0.394 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -48.84 102.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 47.09 -99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p -126.43 92.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.73 163.61 36.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -174.71 144.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.22 61.25 6.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.69 -56.34 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.81 -62.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -175.73 173.56 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -88.59 164.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 38.6 m95 61.71 17.59 8.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.53 -37.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.15 -34.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -49.73 -44.48 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.16 37.18 12.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.55 162.95 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.3 mptp? -136.68 -176.27 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -138.43 107.65 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.605 HG11 ' SD ' ' A' ' 103' ' ' MET . 8.8 p -119.18 153.35 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 135.62 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 103' ' ' MET . 3.7 mm -100.46 123.95 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 m -162.15 84.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -120.97 -76.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.1 pt-20 -175.57 131.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 27' ' ' GLU . 50.9 mt -150.19 -42.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.09 163.54 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.18 -20.33 11.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -24.99 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 m -129.91 39.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.98 -31.35 56.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -15.69 59.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 35' ' ' VAL . 15.9 t -78.96 -5.48 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -120.35 -0.07 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.63 -16.05 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -112.49 -51.93 2.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -50.15 -46.96 54.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.1 t -178.31 92.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.06 -2.78 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -100.41 140.64 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -147.03 145.07 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.46 150.21 24.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 54' ' ' PHE . 2.5 p -141.47 120.86 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.75 -20.91 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.57 10.94 32.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -69.7 169.39 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 111.154 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.97 155.23 29.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.99 -17.25 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -89.94 -23.58 21.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -27.5 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -81.8 -15.59 53.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.0 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 8.45 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 54' ' ' PHE . 8.8 p -117.16 -23.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 17.7 t -97.0 -24.91 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -67.26 -29.42 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -24.09 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.33 0.66 40.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 58' ' ' VAL . 18.4 m -109.97 -37.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 80' ' ' LEU . 98.4 t -55.29 -73.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -52.64 -39.14 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -63.53 -26.68 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.8 mp -122.24 60.08 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.4 mt-30 -126.85 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -153.4 66.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -25.05 55.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -29.65 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.07 -51.86 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.494 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -51.26 -50.98 58.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -24.34 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.35 -28.44 18.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.3 mtm -80.46 -22.94 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.73 0.5 8.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.494 HG21 HD23 ' A' ' 73' ' ' LEU . 97.4 mt -104.06 115.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.21 133.94 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.85 -24.57 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -23.34 47.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.5 -31.17 47.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -54.79 -38.02 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.02 -23.28 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -120.99 39.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -118.48 -176.79 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -114.73 135.08 54.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -123.74 109.99 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -86.87 119.34 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.8 mm? -84.73 88.85 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -86.09 -179.51 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.48 -167.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.48 0.61 32.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.35 -5.34 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.84 16.48 59.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.09 153.42 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 4.3 tt0 -90.86 72.67 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -127.13 -174.68 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.34 59.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -79.9 -171.61 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -37.1 44.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.605 ' SD ' HG11 ' A' ' 22' ' ' VAL . 8.6 mtp -124.64 99.85 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.33 163.79 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.03 82.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.37 141.99 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -97.13 53.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -174.82 154.71 1.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.722 0.772 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.2 Cg_endo -69.81 168.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 mt . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.876 0.37 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.11 131.15 50.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.55 -99.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.2 t -142.69 27.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.07 166.63 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -171.56 135.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.3 75.81 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -108.48 -52.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -166.36 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 15' ' ' GLU . 12.9 t -175.99 170.94 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.11 164.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.5 m95 61.84 17.52 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 12' ' ' THR . 36.0 mt-10 -138.73 -38.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.62 -34.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -49.52 -43.47 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.57 37.0 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -154.71 168.54 26.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 -176.2 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.1 124.06 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.639 HG11 ' SD ' ' A' ' 103' ' ' MET . 98.9 t -144.2 141.21 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 24' ' ' ILE . 1.3 mtt180 -108.08 162.06 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.584 HD11 ' HE2' ' A' ' 103' ' ' MET . 15.2 mm -128.66 121.29 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -161.55 87.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -120.1 -76.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.06 110.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mp -123.41 -56.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.02 179.93 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.44 -27.84 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -46.38 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.34 40.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.32 -33.46 16.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -22.72 61.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 66' ' ' LEU . 37.5 t -67.47 -20.72 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -110.35 6.97 22.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -114.98 -21.11 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -116.7 -25.76 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -10.64 29.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -175.94 80.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -118.26 -29.97 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -86.77 138.46 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.46 159.28 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 139.52 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -119.7 119.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.4 t -82.56 -27.04 31.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.67 73.61 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.46 143.28 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.164 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 170.39 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.81 HG11 ' HB3' ' A' ' 97' ' ' GLU . 9.5 t -69.01 -13.66 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -93.03 -27.98 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -60.42 -27.32 67.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.5 m-85 -79.3 -20.74 47.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.449 ' N ' HD21 ' A' ' 90' ' ' LEU . . . -80.48 -17.15 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.05 -3.61 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -105.94 -26.07 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.6 t -84.38 -42.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -54.1 -26.89 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -95.12 -23.1 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.42 0.91 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 m -105.63 -32.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 80' ' ' LEU . 79.9 t -63.96 -75.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -37.48 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.598 ' O ' HD23 ' A' ' 66' ' ' LEU . 97.3 m -69.55 -29.67 67.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 36' ' ' LEU . 16.9 mt -124.22 61.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -126.88 36.45 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.8 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.629 2.22 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -152.72 61.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -13.48 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.96 -17.53 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -97.61 -36.16 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.6 mt -60.54 -32.07 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -17.23 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.48 -23.19 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptp -100.94 -25.68 14.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.56 -40.35 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.84 112.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.54 138.01 35.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.798 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.77 -31.07 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.33 66.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -75.41 -31.0 60.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' VAL . 23.8 m0 -52.71 -34.48 52.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -28.42 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.3 m -114.62 39.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.47 -174.06 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.446 HG21 ' CZ ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -126.83 109.11 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.9 m-85 -102.08 75.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 87' ' ' THR . 86.9 m-85 -56.84 141.52 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.2 mm? -98.65 160.64 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -168.28 171.58 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -118.25 -171.49 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -11.2 60.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.43 -5.36 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.12 31.24 29.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -124.25 135.11 53.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.81 ' HB3' HG11 ' A' ' 51' ' ' VAL . 1.8 mt-10 -79.77 82.68 5.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -129.39 166.39 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -77.23 60.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.86 156.07 20.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -28.9 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.34 127.01 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.639 ' SD ' HG11 ' A' ' 22' ' ' VAL . 1.8 mtp -124.34 109.3 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -79.83 125.13 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.526 ' SG ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -90.52 97.0 10.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.09 142.21 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -80.92 -5.98 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.0 p90 -110.29 154.54 42.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.97 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.5 Cg_endo -69.8 168.11 22.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.236 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -48.07 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.23 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.847 0.356 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -56.17 136.97 52.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.82 -31.15 16.16 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' VAL . 3.5 t -108.15 36.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.502 HG21 HG22 ' A' ' 16' ' ' VAL . 1.3 m -160.9 138.36 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -169.88 126.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.71 46.14 54.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' HG23 ' A' ' 7' ' ' THR . 6.6 mm-40 -90.04 -33.86 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.47 -68.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.608 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.9 t -167.28 172.67 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.86 163.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.0 m95 61.51 17.8 8.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -138.76 -39.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 12' ' ' THR . 10.0 p -123.68 -30.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.7 -51.44 49.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.68 33.07 7.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -146.01 162.3 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.2 mptp? -142.51 -176.46 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -135.13 106.26 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.533 HG21 ' SD ' ' A' ' 103' ' ' MET . 5.2 p -117.96 120.14 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 147.94 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.4 mm -104.64 138.23 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -160.99 77.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -120.7 -77.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.6 tt0 177.93 146.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -161.7 -56.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.69 173.54 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.38 -47.99 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -78.87 -31.6 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.488 ' CG2' HD23 ' A' ' 66' ' ' LEU . 4.6 m -121.53 39.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.9 -52.82 13.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -15.83 59.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.705 HG12 HG22 ' A' ' 65' ' ' THR . 87.5 t -70.99 -20.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -121.04 3.88 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -119.96 -23.54 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.11 -44.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -42.31 64.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.85 89.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -113.43 -2.49 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.9 138.9 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -146.5 144.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 141.84 56.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.628 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.1 p -135.29 109.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -179.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.35 -25.47 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.53 58.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.94 171.73 9.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -124.12 156.31 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 97' ' ' GLU . 7.4 t -60.26 -18.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -90.87 -28.62 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.07 -35.02 74.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.709 ' O ' HG22 ' A' ' 58' ' ' VAL . 4.7 m-85 -72.26 -21.68 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.08 -18.22 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 9.11 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -122.27 -28.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 54' ' ' PHE . 23.9 m -82.52 -40.46 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -66.88 -33.98 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.51 -63.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.16 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 58' ' ' VAL . 56.8 t -54.45 -25.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ALA . 74.5 t -78.03 -68.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -25.26 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 HG12 ' A' ' 35' ' ' VAL . 63.7 m -77.57 -32.51 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.2 mp -109.86 56.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.708 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -126.74 36.77 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.74 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 72' ' ' LEU . 4.9 m -153.38 67.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -24.56 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -55.91 -23.79 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 69' ' ' VAL . 69.3 mt -92.97 -45.88 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 80' ' ' LEU . 11.2 mt -53.25 -36.79 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -24.94 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -22.44 58.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.2 mtm -99.09 -27.45 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.27 -33.76 2.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.91 110.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.09 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.91 135.0 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.79 -25.17 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -21.76 53.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -81.84 -31.34 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.698 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -54.65 -34.7 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.39 -23.82 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.8 m -119.83 39.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.1 -174.6 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -115.58 101.51 8.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -91.83 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -90.38 122.3 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.5 mm? -85.76 165.7 16.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -167.4 169.19 12.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.6 -168.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -76.36 -11.05 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.25 4.16 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.24 32.92 59.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -132.71 160.42 36.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -81.41 85.6 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.93 169.38 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -118.05 60.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.11 -167.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -32.12 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -131.5 178.36 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -157.13 146.64 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -114.17 133.78 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.5 p -113.19 101.6 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.21 146.68 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.84 -10.39 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.11 155.02 43.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.82 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 7' ' ' THR . 30.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.864 0.364 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -57.23 -171.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.24 -84.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.28 80.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -156.02 168.48 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -149.87 -171.32 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.47 100.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HB2' HG11 ' A' ' 16' ' ' VAL . 6.4 mm-40 -114.21 -17.35 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -167.48 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.8 176.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.15 163.16 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 m95 61.23 17.84 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -142.22 -37.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -122.09 -34.27 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -50.2 -43.79 52.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.98 36.59 12.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -154.22 164.98 37.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.95 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -138.62 -177.11 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -134.18 108.19 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' SER . 3.9 p -115.64 117.73 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -94.66 157.16 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 103' ' ' MET . 5.1 mp -127.42 136.76 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -161.43 80.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -120.1 -76.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 178.5 135.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' SG ' ' A' ' 105' ' ' CYS . 0.3 OUTLIER -144.04 -56.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.4 ' CG ' HG23 ' A' ' 32' ' ' VAL . 2.9 m-20 -125.62 -174.0 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 -31.93 4.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.751 ' HG3' HG13 ' A' ' 32' ' ' VAL . 15.7 ptm180 -110.92 -34.74 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 31' ' ' ARG . 32.7 m -106.0 39.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.653 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -86.46 -49.47 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -55.29 -23.3 22.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' A' ' 34' ' ' LYS . 55.1 t -69.45 -23.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.23 -8.82 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.89 -30.18 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -12.64 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.0 p 179.87 85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -22.97 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.06 142.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE1' HD13 ' A' ' 24' ' ' ILE . 8.5 m-85 -141.75 163.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 141.91 44.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 20' ' ' LYS . 3.1 p -134.13 118.26 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -179.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -0.18 50.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.92 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.7 161.68 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -114.71 156.68 24.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -62.23 -17.12 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.3 t -89.82 -23.93 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -29.55 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 7.4 m-85 -78.54 -16.2 57.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.84 -3.43 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 2.83 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -117.35 -26.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.5 t -97.55 -2.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.99 -22.1 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.45 -49.94 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.11 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.39 -48.73 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.739 HG13 HD11 ' A' ' 80' ' ' LEU . 62.8 t -47.94 -43.02 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -51.63 -50.23 60.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.1 p -87.51 0.51 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 32' ' ' VAL . 3.9 mm? -122.9 29.93 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.84 36.23 0.33 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 -49.12 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.442 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.1 m -148.4 62.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 p -70.09 -10.63 59.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -66.14 -13.39 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 69' ' ' VAL . 2.5 pp -104.65 -23.31 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 72' ' ' LEU . 11.8 mt -77.86 -25.36 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -17.89 64.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.47 -6.51 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mtm -95.39 -26.17 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.01 16.9 4.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.9 mt -129.79 108.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 129.69 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HG13 ' A' ' 63' ' ' VAL . 2.9 tm? -90.21 -30.87 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -23.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.1 pt-20 -76.16 -30.63 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -52.11 -42.59 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 m -68.58 -35.19 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.6 m -106.18 38.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 107' ' ' PHE . . . -127.44 166.97 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 t -96.34 134.6 39.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.37 100.06 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.32 144.15 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.11 130.59 52.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.23 168.89 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.79 -166.89 1.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.92 -1.67 40.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.703 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -116.07 -26.69 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.3 28.97 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.703 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.9 OUTLIER -124.31 156.92 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.55 81.4 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -119.46 169.58 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -120.1 48.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -79.36 -169.74 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -51.79 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -93.45 140.27 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.587 ' O ' HG23 ' A' ' 24' ' ' ILE . 6.8 ttp -145.23 110.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -79.1 138.88 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 28' ' ' LEU . 9.4 p -103.84 104.73 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -108.76 143.55 37.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' HB1' ' A' ' 86' ' ' ALA . 3.2 t80 -82.95 -36.77 24.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 35.5 p90 -71.53 154.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.738 0.78 . . . . 0.0 110.879 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.3 Cg_endo -69.77 167.56 24.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.77 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.87 0.366 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -76.52 143.38 40.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 6' ' ' VAL . 7.2 p -167.99 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.147 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -71.65 170.64 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -174.43 134.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.84 66.57 2.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 7' ' ' THR . 6.3 mm-40 -105.95 -60.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.97 -64.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.8 t -169.83 173.6 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.55 162.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.9 m95 61.81 17.5 8.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.8 mm-40 -136.82 -39.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 12' ' ' THR . 12.7 p -124.71 -32.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.12 -38.2 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.47 34.34 45.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -153.77 163.34 40.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -133.79 -175.42 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -145.15 107.42 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG21 ' CE ' ' A' ' 103' ' ' MET . 10.2 p -115.84 152.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 42' ' ' VAL . 2.1 mpt_? -134.56 156.72 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.65 130.08 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -160.72 70.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -120.12 -76.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.46 137.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 88' ' ' PHE . 1.3 tp -146.81 -54.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.05 164.1 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.02 -22.78 12.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -24.41 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.01 55.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.44 -48.26 7.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.03 -21.02 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG23 ' HD3' ' A' ' 34' ' ' LYS . 95.8 t -61.87 -21.93 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -115.85 6.1 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -21.24 9.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -118.96 -26.94 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HB3' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -91.45 -20.02 22.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.86 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -16.09 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.485 HG23 ' HD2' ' A' ' 23' ' ' ARG . 2.3 p -105.69 142.12 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.01 139.95 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' LYS . 94.7 m -116.22 130.13 56.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.672 HG11 ' CE1' ' A' ' 54' ' ' PHE . 2.9 m -118.96 163.18 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.13 -169.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -24.49 38.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.12 87.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -137.08 145.52 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.21 168.36 9.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -69.32 -14.45 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -91.94 -26.52 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -63.4 -34.12 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 45' ' ' VAL . 8.4 m-85 -70.68 -21.84 62.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.24 -6.87 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.3 5.57 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -120.29 -9.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 58' ' ' VAL . 16.2 t -115.82 -3.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.71 -20.71 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -102.8 -40.57 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.5 83.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.0 m -54.14 -42.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 78.9 t -57.35 -47.92 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -51.23 -34.93 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 39' ' ' LYS . 6.2 m -89.7 -21.62 22.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -104.89 49.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.724 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.1 mm-40 -127.01 35.95 0.31 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.724 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.76 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.623 2.215 . . . . 0.0 112.398 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 68' ' ' PRO . 1.5 m -157.05 62.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -13.79 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.25 -17.22 57.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -96.61 -36.24 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 72' ' ' LEU . 25.2 mt -60.18 -33.09 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -18.37 62.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -76.48 -23.84 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.2 ptp -100.73 -25.93 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.64 -33.86 2.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.74 106.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.6 130.37 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 2.8 tm? -91.01 -31.19 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -14.06 61.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.4 pt-20 -86.92 -30.12 21.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 26.5 m0 -50.04 -51.32 43.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -44.12 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.2 35.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.86 -176.64 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.1 m -111.84 89.03 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 m-85 -84.63 120.66 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -99.62 161.97 13.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.0 OUTLIER -136.67 147.32 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.52 -178.77 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.44 179.34 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -71.98 -17.34 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.36 -1.58 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.63 35.26 11.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -127.56 145.79 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.96 75.28 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.07 174.85 6.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -119.37 56.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -79.74 -168.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -31.96 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -124.46 139.35 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.627 ' CE ' HG21 ' A' ' 22' ' ' VAL . 5.5 ttp -140.3 111.52 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -79.74 123.41 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.6 t -90.4 101.34 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.85 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -95.87 18.46 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.414 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.4 p90 -135.66 155.06 78.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.716 0.77 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.4 Cg_endo -69.81 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.44 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.371 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -57.16 151.33 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.88 -45.94 31.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.86 55.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 10' ' ' GLU . 7.1 m -161.98 145.3 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -172.27 126.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.62 46.3 38.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.643 ' HG3' HG23 ' A' ' 7' ' ' THR . 5.0 mm-40 -87.38 -34.93 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.63 -68.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.621 ' O ' HG12 ' A' ' 16' ' ' VAL . 3.5 t -176.86 142.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.67 158.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.0 m95 63.72 12.27 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.555 ' HB2' HG23 ' A' ' 12' ' ' THR . 13.5 mt-10 -152.46 11.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 12' ' ' THR . 9.3 p -157.58 -34.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -23.34 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.54 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -158.02 164.85 36.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.811 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -141.89 -179.97 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -131.55 125.73 33.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 103' ' ' MET . 99.3 t -126.16 144.67 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 155.03 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.3 mm -116.23 136.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -159.54 67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -120.75 -77.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 177.24 150.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -159.47 -54.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -140.5 176.31 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.98 -46.71 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -26.79 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' HD23 ' A' ' 66' ' ' LEU . 34.8 m -131.43 39.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.56 -58.43 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -20.81 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.87 -20.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -117.99 9.1 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -120.5 -25.13 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.58 -23.17 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -100.99 -6.16 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.28 84.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -125.76 -36.62 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.42 135.61 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -142.42 149.76 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.2 147.82 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.0 p -140.07 113.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 169.9 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -77.88 -6.83 55.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.21 -19.82 7.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.58 140.25 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.51 169.23 9.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -69.0 -12.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -94.68 -27.48 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 57' ' ' VAL . 4.3 tt0 -61.03 -37.73 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.38 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.7 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.27 12.62 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 53' ' ' GLU . 98.2 t -120.23 -31.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -94.26 -4.16 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -111.04 0.21 16.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -36.44 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.95 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -64.53 -32.52 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 80' ' ' LEU . 93.1 t -58.21 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -30.2 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.0 m -74.67 -24.31 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 36' ' ' LEU . 6.5 mp -120.93 54.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.72 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.3 mt-30 -127.05 36.67 0.35 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.456 ' HB ' HD23 ' A' ' 72' ' ' LEU . 4.1 m -153.54 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -8.23 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.61 -14.57 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.607 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -100.31 -24.68 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 72' ' ' LEU . 10.4 mt -76.54 -28.68 56.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -22.89 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -99.53 -20.34 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.62 -26.66 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.43 17.28 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.7 mt -129.19 112.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.96 135.23 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.71 -34.02 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -23.57 65.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 85' ' ' VAL . 7.1 pt-20 -78.02 -30.25 49.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.64 -27.26 38.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -25.64 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.2 m -116.97 40.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.09 -179.94 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 m -104.34 101.7 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.1 m-85 -95.15 127.87 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.16 171.67 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.2 mp -141.53 166.47 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -161.74 179.32 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.67 177.83 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.03 -14.18 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.82 5.53 45.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.94 30.67 67.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -131.32 155.23 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.66 86.84 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.51 172.37 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -117.08 54.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.9 -165.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.71 -54.75 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -126.01 157.25 38.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.549 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.4 ptm -147.1 135.24 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -79.82 138.2 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 39.6 t -103.98 100.89 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.79 148.99 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.79 -1.63 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.43 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.1 p90 -113.27 155.03 45.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.744 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.75 167.83 23.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.14 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.81 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.877 0.37 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm 41.61 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.35 87.62 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.9 t 55.78 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 m -161.0 150.16 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -162.21 145.97 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.4 58.36 13.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -112.06 -56.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -131.87 -67.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -175.42 175.15 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -90.4 164.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 37.3 m95 61.84 17.36 8.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -138.37 -37.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.85 -35.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -49.85 -44.83 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.78 36.78 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -151.53 166.88 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 -176.11 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -137.25 104.4 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 103' ' ' MET . 11.3 p -112.44 151.57 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.3 158.07 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.418 HG13 HG11 ' A' ' 58' ' ' VAL . 49.7 mm -118.48 127.82 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -120.29 -76.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD22 ' A' ' 28' ' ' LEU . 1.7 mt-10 179.0 129.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -143.44 -57.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.521 ' OD1' HD13 ' A' ' 78' ' ' ILE . 50.0 m-20 -130.8 173.01 11.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.64 -47.71 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -76.54 -18.47 58.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.09 43.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.95 -58.33 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -12.99 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 39' ' ' LYS . 52.8 t -69.81 -16.7 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 28' ' ' LEU . 2.2 pp -120.64 2.43 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -25.83 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -113.13 -45.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -51.71 -48.76 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.92 83.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.16 -0.21 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.86 142.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 73.4 m-85 -149.12 159.18 44.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.5 136.1 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 54' ' ' PHE . 94.9 t -116.88 120.35 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -172.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.2 t -82.85 -37.03 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.1 84.5 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.09 164.9 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.08 155.58 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG22 ' HD1' ' A' ' 99' ' ' PHE . 14.1 t -61.46 -17.68 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.7 t -90.24 -22.61 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.9 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.8 m-85 -85.84 -14.6 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.56 -13.3 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.26 -5.45 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 54' ' ' PHE . 5.0 p -108.52 -26.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 42.4 t -95.01 -15.02 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.08 0.29 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.07 -33.92 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.17 0.64 40.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.72 -35.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 80' ' ' LEU . 97.7 t -60.75 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -55.65 -24.78 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.7 m -83.79 -24.98 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.416 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 1.7 mm? -113.92 50.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.733 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -127.08 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.966 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.71 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.5 m -154.36 66.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' LEU . 1.4 p -70.92 -10.51 59.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -67.74 -12.98 61.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 72' ' ' LEU . 2.2 pp -108.91 -6.62 15.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' SER . 16.4 mt -96.93 -21.02 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.83 0.26 40.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 0.72 17.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 7.6 ptp -116.79 -26.21 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.25 1.4 5.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.521 HD13 ' OD1' ' A' ' 29' ' ' ASP . 68.8 mt -105.43 104.88 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.63 135.28 36.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -91.03 -34.1 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -22.23 65.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.0 pt-20 -79.07 -30.53 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -51.82 -40.46 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 p -71.36 -34.54 70.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.0 m -107.77 39.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.38 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -95.41 109.32 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.54 125.55 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -116.65 153.51 32.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.7 142.87 46.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.49 -178.87 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.51 -168.56 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -15.98 55.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.62 2.26 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.1 30.1 51.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -129.1 161.1 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 84.21 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.2 164.3 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HD1' HG22 ' A' ' 51' ' ' VAL . 11.4 p90 -120.01 58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.88 -169.73 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -34.44 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -122.19 148.5 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 2.0 mtt -140.61 140.27 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -105.08 115.11 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.5 t -85.76 98.54 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.85 153.49 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.65 37.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.429 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.7 p90 -159.49 155.02 22.42 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.716 0.77 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.81 167.65 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.88 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 4' ' ' LYS . 34.7 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.904 0.383 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.723 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -54.31 145.72 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.56 -99.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.6 t -149.89 24.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.461 ' O ' HG21 ' A' ' 3' ' ' ILE . 5.6 m -72.8 157.75 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.65 133.11 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 62.04 3.86 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.94 -47.88 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.68 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.593 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.2 t -167.92 171.08 10.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.01 163.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.6 m95 61.62 17.91 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 mt-10 -138.27 -39.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 12' ' ' THR . 10.1 p -124.16 -30.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.4 -41.12 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.6 31.99 43.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -151.08 158.01 43.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.927 0.394 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.815 ' HB2' HG13 ' A' ' 45' ' ' VAL . 2.4 mptp? -132.86 166.38 22.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -127.44 108.47 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 ' SD ' ' A' ' 103' ' ' MET . 12.0 p -108.04 146.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.411 ' HD2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -128.18 164.2 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -125.06 146.62 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -154.16 34.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.13 -73.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 176.61 169.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.644 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -171.97 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.66 -177.29 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -118.44 -34.77 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -23.29 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 HD23 ' A' ' 66' ' ' LEU . 6.5 m -129.4 40.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -71.17 -51.45 24.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -15.47 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 65' ' ' THR . 59.0 t -63.87 -16.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.18 -2.28 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.83 -26.37 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.79 -32.35 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.51 -23.74 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -177.13 86.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -17.24 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 23' ' ' ARG . 22.0 t -81.39 142.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 97.8 m-85 -151.27 135.47 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.47 151.5 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 20' ' ' LYS . 1.8 p -151.66 111.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 176.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 t -81.01 -20.3 42.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.45 72.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -135.78 169.24 17.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.152 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.64 156.4 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 97' ' ' GLU . 15.4 t -62.84 -16.39 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -91.07 -23.5 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -67.47 -31.06 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -76.61 -18.73 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.77 -20.17 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 8.7 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 53' ' ' GLU . 87.9 t -120.02 -31.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 21.5 t -92.56 -17.28 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.36 -19.79 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.11 -27.81 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.3 0.33 42.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 58' ' ' VAL . 11.7 m -103.45 -35.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.01 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -36.93 63.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 35' ' ' VAL . 61.3 m -71.53 -24.01 61.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 32' ' ' VAL . 7.3 mp -119.28 61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.1 mm-40 -126.76 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.531 HG21 HD12 ' A' ' 72' ' ' LEU . 3.6 m -154.65 65.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -27.3 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.94 -23.84 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 HG21 ' A' ' 69' ' ' VAL . 47.7 mt -91.54 -48.42 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -52.22 -44.34 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -55.25 -25.56 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -19.19 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtm -94.28 23.26 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.18 36.51 63.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.423 HG21 HD23 ' A' ' 73' ' ' LEU . 85.3 mt -142.56 113.01 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.81 142.67 33.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.688 HD21 ' HG2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -90.82 -31.7 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -22.49 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.16 -30.91 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.401 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 28.5 m0 -56.75 -32.92 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -80.2 -19.38 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.56 39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.53 -178.09 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -117.41 102.81 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.15 104.44 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -90.11 123.72 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.4 mm? -99.32 103.65 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.59 -177.63 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.06 -173.21 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.74 -15.77 58.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.89 0.02 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.73 34.14 28.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -128.12 165.21 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 51' ' ' VAL . 7.3 tt0 -102.03 61.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.85 -175.84 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -114.62 62.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 t -77.27 -165.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -46.01 -45.89 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.85 178.19 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 22' ' ' VAL . 1.4 mtt -147.75 156.62 42.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.62 120.4 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 104.72 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.07 115.91 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -64.61 -15.3 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.8 p90 -107.97 155.06 40.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.9 Cg_endo -69.74 167.56 24.07 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -55.69 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 3' ' ' ILE . 8.5 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.13 3.98 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.75 -75.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 7' ' ' THR . 2.9 t -80.24 161.94 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 67.61 145.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -153.45 129.03 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.64 53.3 2.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -96.94 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -70.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 16' ' ' VAL . 13.2 t -175.79 176.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -82.65 161.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.9 m95 61.9 17.32 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.94 -51.26 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -102.2 -24.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' ILE . 9.3 pt20 -60.11 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.9 40.59 63.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -153.81 170.74 20.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.1 mptp? -150.41 -177.2 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -128.07 119.68 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 103' ' ' MET . 95.8 t -121.71 127.18 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.753 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -103.04 155.22 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 23' ' ' ARG . 7.9 mm -128.52 122.14 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -161.37 86.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -120.97 -79.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER 176.5 123.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 HD21 ' HE2' ' A' ' 88' ' ' PHE . 2.1 mp -133.61 -56.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' HD13 ' A' ' 78' ' ' ILE . 0.9 OUTLIER -126.65 -175.99 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.16 -41.63 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.94 -35.02 11.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 66' ' ' LEU . 11.5 m -114.37 51.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.77 -36.71 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -23.02 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 66' ' ' LEU . 99.3 t -67.7 -23.16 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.43 9.22 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -120.66 -30.5 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.17 -21.05 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -6.31 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -179.3 84.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 -37.88 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.74 135.3 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.44 156.0 45.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.5 p -146.1 134.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.1 pt-20 -71.03 -175.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 0.08 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.38 71.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -136.39 156.86 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.499 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.09 155.17 25.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 97' ' ' GLU . 14.8 t -62.46 -16.71 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -91.24 -24.36 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 49' ' ' THR . 10.7 m-85 -71.36 -23.26 61.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -19.8 62.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.72 13.22 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.15 -41.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.0 t -79.98 -22.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -69.19 -34.11 74.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' OE2' ' HB3' ' A' ' 59' ' ' ALA . 2.6 mm-40 -97.25 -37.79 9.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.18 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 58' ' ' VAL . 59.0 t -87.8 -28.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 80' ' ' LEU . 94.0 t -69.7 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -57.93 -21.13 42.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -92.47 -22.52 19.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 32' ' ' VAL . 11.1 tp -116.76 63.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 5.4 mm-40 -126.97 36.33 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -159.03 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -11.2 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.82 -13.71 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.4 pp -100.79 -14.73 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 72' ' ' LEU . 6.9 mt -90.63 -22.97 20.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -10.26 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -93.53 -12.51 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 78' ' ' ILE . 4.1 ptp -106.47 -19.98 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.46 -26.98 5.1 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.591 HD12 ' SD ' ' A' ' 76' ' ' MET . 95.6 mt -69.16 106.73 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.69 131.62 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 80' ' ' LEU . 2.0 tm? -90.29 -31.82 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -22.27 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.4 pt-20 -78.57 -30.82 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CZ3' HD23 ' A' ' 66' ' ' LEU . 28.2 m0 -54.13 -34.81 61.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -27.98 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.7 m -114.38 39.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.37 -169.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -123.51 97.84 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HE2' HD21 ' A' ' 28' ' ' LEU . 4.9 m-85 -95.59 108.93 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -90.42 134.3 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.4 mm? -88.96 152.07 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -153.5 174.31 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.95 -178.89 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.81 -12.64 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.17 47.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.02 30.64 65.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -128.84 158.09 39.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' VAL . 3.9 mt-10 -80.44 86.04 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.26 166.4 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -115.85 60.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.27 -167.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.6 -29.76 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -150.62 134.0 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.7 ptt? -127.25 132.52 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -79.92 148.2 31.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.3 p -116.54 98.29 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.76 150.19 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -57.22 4.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.406 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -52.39 154.88 4.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.69 0.757 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.24 . . . . 0.0 112.374 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.43 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.91 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.887 0.375 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -72.92 -5.18 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.74 -53.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 7' ' ' THR . 3.1 t -111.86 161.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.414 ' N ' HG12 ' A' ' 6' ' ' VAL . 33.0 m 65.5 149.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -163.49 137.81 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.9 59.6 6.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -112.24 -34.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.66 -65.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 15' ' ' GLU . 14.3 t -175.7 174.94 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.3 t -95.08 164.23 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.422 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.4 m95 63.11 16.46 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' ' 12' ' ' THR . 35.8 mm-40 -137.24 -41.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.85 -36.95 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -51.75 -30.31 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.38 78.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -154.77 174.79 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.4 mptp? -149.19 -176.09 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -140.55 92.95 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG21 ' HG2' ' A' ' 103' ' ' MET . 12.0 p -105.55 137.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.08 152.76 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 mm -113.65 136.72 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 100.0 m -161.76 82.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -120.09 -81.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 174.54 138.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 27' ' ' GLU . 2.1 mm? -137.64 -58.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD2' HG23 ' A' ' 32' ' ' VAL . 44.0 t0 -132.35 152.33 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.57 -20.53 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 -22.2 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 32' ' ' VAL . 47.2 t -115.87 60.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.22 -29.7 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -13.56 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 66' ' ' LEU . 61.8 t -74.31 -23.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -110.41 7.95 23.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -110.1 -33.89 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.79 -43.33 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -13.97 61.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HB2' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER 178.7 94.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 p -139.76 -41.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.83 132.14 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -141.25 149.59 41.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 152.43 21.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.4 p -147.98 133.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 pt-20 -70.08 -175.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -0.04 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.85 72.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.54 155.42 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.92 156.88 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.86 -17.21 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -89.87 -23.5 21.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -31.71 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.631 ' HA ' HG12 ' A' ' 57' ' ' VAL . 9.8 m-85 -75.42 -18.12 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.46 -6.79 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 -16.36 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -99.74 -21.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 95.8 t -86.28 -23.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.37 -14.23 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.83 0.33 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.14 -51.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.492 HG13 HD13 ' A' ' 66' ' ' LEU . 63.9 t -53.7 -45.43 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.624 HG13 ' CD1' ' A' ' 80' ' ' LEU . 59.4 t -59.7 -42.37 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.95 -50.16 74.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.718 HG21 ' HB2' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -66.73 -44.09 82.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 36' ' ' LEU . 7.9 mp -82.88 54.36 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.732 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mm100 -126.67 36.34 0.33 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.79 -49.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -158.98 67.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -61.33 -18.03 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -22.59 54.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.0 pp -97.75 -38.1 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.711 HD23 HG21 ' A' ' 78' ' ' ILE . 10.3 mp -53.99 -38.08 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -23.25 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -77.73 -29.87 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 ptp -89.53 -27.29 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.72 -42.7 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 73' ' ' LEU . 88.5 mt -55.58 130.04 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.42 120.07 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.624 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -71.34 -12.15 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -22.01 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 85' ' ' VAL . 13.7 pt-20 -88.85 -26.22 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.702 ' CH2' HD12 ' A' ' 28' ' ' LEU . 6.4 m0 -56.65 -36.98 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -75.34 -28.55 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.5 m -112.54 39.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.56 -179.72 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' CE2' ' A' ' 89' ' ' TYR . 3.2 m -105.09 96.42 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.41 143.71 26.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 87' ' ' THR . 91.6 m-85 -129.42 170.28 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.72 167.97 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -164.07 -178.23 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.67 -178.94 6.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.15 -11.19 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.63 5.35 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.65 62.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -129.55 155.23 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.8 tt0 -90.52 70.52 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -114.24 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -120.12 59.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.67 -169.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 m -51.94 -29.15 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -148.52 133.65 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.582 ' HG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -136.01 131.51 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -79.82 132.97 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.8 t -101.46 103.34 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.19 169.9 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -107.76 0.63 22.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.437 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.0 p90 -113.16 155.18 44.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.34 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.75 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 7' ' ' THR . 2.7 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.504 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.3 ptmt -64.79 -10.94 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -82.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.41 59.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.743 HG21 ' CG2' ' A' ' 16' ' ' VAL . 18.8 m -162.26 145.96 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -174.89 126.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.47 34.35 19.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 7' ' ' THR . 16.8 mm-40 -82.32 -49.93 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.0 -68.26 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.56 ' O ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -176.13 178.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.81 162.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.4 m95 61.76 18.09 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.36 -40.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.743 ' CG2' HG21 ' A' ' 7' ' ' THR . 13.7 p -125.53 -31.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -49.92 -47.25 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.45 35.91 10.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 44' ' ' THR . 6.5 m-85 -153.12 164.52 37.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.47 -175.68 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.05 107.43 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 103' ' ' MET . 7.6 p -109.91 130.26 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 153.01 24.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.56 135.03 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.48 79.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -120.65 -79.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER 175.45 145.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -152.31 -55.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.01 -179.73 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.76 -44.17 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -89.83 -31.37 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 m -117.98 49.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.19 -44.01 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.61 -22.09 63.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' HD3' ' A' ' 34' ' ' LYS . 90.4 t -60.44 -17.99 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 66' ' ' LEU . 1.5 pp -120.7 3.8 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.16 -6.27 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.89 -37.49 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 23.43 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 48.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 p -109.1 -33.77 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.15 137.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -142.07 161.56 37.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.539 HG22 ' HD1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -109.16 155.8 20.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.6 p -151.27 127.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.05 -24.8 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.8 83.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -139.99 166.63 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.42 156.28 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.5 t -62.07 -17.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.5 t -90.41 -24.78 20.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.588 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.2 m-85 -75.62 -18.87 59.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.18 -3.88 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.23 -7.7 11.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.0 p -104.53 -23.34 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' PHE . 56.7 t -89.95 -21.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.42 -28.79 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.65 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.89 1.57 53.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -110.13 -19.73 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 46.7 t -74.73 1.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.65 -18.71 13.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -112.7 -24.91 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 36' ' ' LEU . 3.5 mm? -107.09 34.28 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.721 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -125.61 37.11 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 72' ' ' LEU . 6.3 m -148.34 70.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -55.53 -29.8 59.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -17.07 58.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 HG21 ' A' ' 69' ' ' VAL . 38.6 mt -101.55 -36.12 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.96 -40.2 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 m -53.99 -33.89 58.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.49 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -93.73 17.91 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.56 33.7 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.485 HG23 ' CZ2' ' A' ' 83' ' ' TRP . 4.3 mt -137.68 111.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.33 129.73 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 1.4 tm? -82.91 -27.0 30.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -23.26 45.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.8 pt-20 -88.14 -30.18 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 78' ' ' ILE . 18.8 m0 -58.82 -25.74 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -87.38 -24.47 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.2 m -116.17 39.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.5 179.52 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -105.34 96.79 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.97 109.77 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -91.92 161.61 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.3 mp -140.25 136.37 33.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.2 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 -167.29 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.27 0.16 38.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.12 1.13 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.4 32.92 18.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -121.23 148.53 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.585 ' HG2' HG11 ' A' ' 51' ' ' VAL . 2.9 tt0 -80.96 74.94 7.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -122.54 -177.23 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -118.94 60.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.6 p -79.83 175.17 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -39.06 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -126.24 116.79 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -130.17 129.24 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -79.74 128.94 34.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.3 t -99.66 104.66 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.75 167.43 9.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -42.64 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -66.95 154.39 92.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.713 0.768 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.81 23.27 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.08 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.607 HG21 ' O ' ' A' ' 7' ' ' THR . 30.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.9 0.381 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.56 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.33 -78.94 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.55 86.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.607 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -157.3 147.39 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -174.52 130.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.16 59.07 8.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB2' HG11 ' A' ' 16' ' ' VAL . 4.0 mm-40 -98.73 -37.84 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -170.95 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.0 t -165.62 174.16 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.26 163.46 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 m95 61.42 17.9 8.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -138.87 -39.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -124.28 -30.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.71 -45.67 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.47 35.62 11.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -153.74 161.23 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -136.51 -176.04 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -135.86 105.49 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 103' ' ' MET . 4.9 p -112.58 133.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -100.41 166.78 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 103' ' ' MET . 5.0 mt -143.51 141.74 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' THR . 5.9 t -178.99 93.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -121.83 -74.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.627 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 174.5 114.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 27' ' ' GLU . 5.6 mp -130.11 -58.19 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.83 -179.29 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 -33.21 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -103.37 -34.95 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.0 m -116.67 40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -87.99 -34.02 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -65.77 -18.54 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 39' ' ' LYS . 91.9 t -62.85 -21.03 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.1 pp -120.79 7.59 10.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -13.06 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.96 -57.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -90.85 16.43 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.55 57.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -31.04 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.15 143.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.67 168.97 18.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 144.1 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.16 122.07 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -91.32 -0.0 57.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.77 69.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.15 148.35 49.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.137 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.04 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.3 t -70.11 -15.15 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -91.09 -26.94 18.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -64.07 -34.51 78.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.1 m-85 -69.02 -23.51 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.59 -6.81 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.13 -14.05 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -103.78 -22.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 54' ' ' PHE . 44.7 t -94.72 -16.25 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.68 0.2 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -112.42 -33.39 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.79 -42.92 26.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.5 m -53.27 -43.23 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.789 HG13 HD11 ' A' ' 80' ' ' LEU . 76.6 t -56.06 -47.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -50.95 -57.02 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.595 HG21 ' HG3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -65.12 -28.43 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -98.39 47.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.728 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.6 mm100 -126.82 36.44 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.74 -49.63 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.679 HG21 HD12 ' A' ' 72' ' ' LEU . 3.2 m -154.87 65.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -25.13 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -57.97 -22.69 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 69' ' ' VAL . 85.1 mt -87.86 -46.71 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.582 HD23 ' CE ' ' A' ' 76' ' ' MET . 12.7 mt -51.82 -46.03 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -30.28 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -20.27 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.582 ' CE ' HD23 ' A' ' 73' ' ' LEU . 77.1 mtm -94.01 19.59 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.68 37.53 84.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.0 mt -142.97 110.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 129.34 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.789 HD11 HG13 ' A' ' 63' ' ' VAL . 1.7 tm? -89.69 -31.8 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -22.14 61.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.443 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.2 pt-20 -78.51 -30.75 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.699 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -50.24 -52.6 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -43.44 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.63 35.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.51 -173.81 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -110.71 100.92 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.57 126.37 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -109.27 137.9 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.9 mm? -99.23 147.84 24.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -156.25 -178.71 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -146.59 -175.31 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.45 -6.41 46.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.2 4.24 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.12 34.61 86.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.28 157.83 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.1 tt0 -91.18 80.59 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.47 -179.72 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -114.67 59.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.31 -168.73 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.61 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.49 133.59 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 24' ' ' ILE . 12.2 ttp -128.89 106.92 9.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.44 161.23 26.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.6 94.63 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 145.52 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -86.22 -2.66 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.427 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -112.98 154.93 44.85 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.735 0.778 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -49.52 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 7' ' ' THR . 18.3 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.896 0.379 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.42 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 92.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t 52.99 91.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.716 ' O ' HG21 ' A' ' 3' ' ' ILE . 33.0 m -162.67 153.11 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -163.0 127.56 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.88 72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 16' ' ' VAL . 18.2 mm-40 -110.0 -27.59 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -171.42 -63.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -175.93 179.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.38 163.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.1 m95 61.47 17.45 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.73 -37.38 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -121.53 -34.71 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.94 -42.55 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.8 17.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -156.09 177.64 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 0.0 110.948 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -175.97 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -145.07 107.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.59 141.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -127.09 149.04 50.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -105.91 127.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -161.38 81.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -121.11 -76.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.3 pt-20 -176.67 137.32 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -157.67 -56.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.95 171.76 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.37 -28.37 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 -41.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.497 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.4 m -110.76 39.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -83.5 -45.74 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -24.01 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.17 -18.22 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.2 pp -118.6 8.28 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -117.73 -20.8 8.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.32 -33.32 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -34.79 77.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 86.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 -18.04 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.35 142.01 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 168.83 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.28 135.18 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.88 121.44 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 t -86.63 -0.01 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.65 67.23 0.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 111.118 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.87 170.06 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 97' ' ' GLU . 6.3 t -67.73 -13.85 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -92.88 -28.41 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.8 tt0 -60.24 -34.99 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HA ' HG12 ' A' ' 57' ' ' VAL . 11.4 m-85 -68.98 -27.35 65.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.29 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -17.22 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.5 p -100.33 -17.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.4 t -89.19 -24.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.28 -17.68 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -101.24 0.52 37.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.01 1.15 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 58' ' ' VAL . 17.6 m -109.63 -39.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 80' ' ' LEU . 85.5 t -68.26 -67.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -27.8 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 HD12 ' A' ' 66' ' ' LEU . 95.1 m -77.83 -33.93 52.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 32' ' ' VAL . 8.7 mp -110.81 65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.703 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.9 mm-40 -126.75 36.84 0.35 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.3 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -152.49 67.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -22.2 59.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.09 -23.49 47.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.86 -46.46 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.508 HD23 HG21 ' A' ' 78' ' ' ILE . 7.0 mp -55.5 -33.81 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.484 HG23 ' OD1' ' A' ' 79' ' ' ASP . 47.9 m -63.13 -20.54 65.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -103.99 -15.84 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.6 mtm -91.62 16.09 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.04 -12.9 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.508 HG21 HD23 ' A' ' 73' ' ' LEU . 2.7 mp -96.09 83.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 74' ' ' THR . 5.0 t0 -85.74 98.66 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -48.85 -34.24 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -28.49 23.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.2 pt-20 -89.56 -30.78 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -52.69 -40.51 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -42.18 75.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -99.94 35.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.61 -176.36 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 98.52 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.53 94.99 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -79.4 122.98 27.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.1 mm? -80.51 142.5 34.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -150.13 -178.38 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -140.48 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.05 -2.03 53.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.01 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -130.68 141.69 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.657 ' HG2' HG11 ' A' ' 51' ' ' VAL . 5.2 tt0 -82.08 76.27 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -124.3 -177.09 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.37 60.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -79.19 -165.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -134.72 -174.44 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.1 mtm -163.3 147.76 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -114.14 141.65 47.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.7 p -109.81 100.72 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.89 139.05 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -71.14 -10.33 59.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -112.34 154.92 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.665 0.745 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.3 Cg_endo -69.72 167.59 23.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.46 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.83 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 25.9 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.903 0.382 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -161.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.93 -85.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -127.84 93.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -163.74 173.4 12.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.451 ' H ' HG22 ' A' ' 7' ' ' THR . 4.1 p90 -149.93 -173.43 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.59 101.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -117.68 -28.05 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.87 -56.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.733 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.3 t 179.3 159.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.69 162.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m95 62.18 17.06 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.0 mm-40 -141.37 -50.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 12' ' ' THR . 7.1 p -98.47 -26.02 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -62.21 -30.08 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.44 38.65 69.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -154.7 177.91 10.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.984 0.421 . . . . 0.0 110.928 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.82 -175.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -131.83 125.77 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 103' ' ' MET . 96.2 t -134.33 122.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 138.71 42.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 103' ' ' MET . 22.9 mm -106.49 125.39 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -152.95 76.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -120.37 -76.83 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 143.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 tp -150.83 -55.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.84 -179.19 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.1 -33.2 3.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -103.87 -18.89 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.632 ' CG2' HD21 ' A' ' 66' ' ' LEU . 5.9 m -134.42 49.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -52.52 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 35' ' ' VAL . 62.0 t -65.73 -14.45 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -120.25 1.74 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -13.78 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.48 -32.72 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p 179.67 88.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -7.1 15.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 p -93.06 142.72 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -143.22 159.71 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.75 138.0 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 54' ' ' PHE . 93.6 t -118.69 121.95 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.05 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -75.51 -39.16 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.03 82.61 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.15 164.64 22.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.507 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -108.77 155.68 20.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.42 -16.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -90.23 -20.99 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.37 71.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.7 m-85 -75.02 -16.75 60.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.94 48.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.97 -15.37 13.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.4 p -105.48 -29.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 62' ' ' VAL . 96.3 t -83.39 -21.59 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -86.4 -4.81 59.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.4 -45.37 62.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 16.5 m -55.66 -24.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' ALA . 54.2 t -84.74 -61.59 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -20.11 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -92.87 0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.65 HD22 ' CH2' ' A' ' 83' ' ' TRP . 0.1 OUTLIER -133.72 55.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.716 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 8.6 mt-30 -125.57 37.06 0.35 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.635 0.731 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.753 2.302 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.8 m -153.78 59.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -69.32 -10.93 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -65.1 -15.26 62.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.502 HD12 ' HE2' ' A' ' 76' ' ' MET . 2.7 pp -101.56 -37.81 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 72' ' ' LEU . 54.8 mt -56.39 -33.87 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -17.11 60.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -20.36 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.502 ' HE2' HD12 ' A' ' 72' ' ' LEU . 3.9 ptp -102.57 -26.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.92 -33.83 2.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 124.35 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.06 141.42 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -91.25 -35.33 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -15.97 60.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.7 pt-20 -89.88 -30.14 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.65 ' CH2' HD22 ' A' ' 66' ' ' LEU . 25.0 m0 -50.56 -43.98 56.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -44.6 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -97.48 35.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.26 179.58 4.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -100.66 91.02 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.15 115.01 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -99.42 121.86 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' SD ' ' A' ' 103' ' ' MET . 3.7 mm? -85.02 148.81 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -151.99 166.64 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -168.39 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.83 -0.23 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.85 4.01 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.7 39.75 33.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -141.76 159.93 41.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.88 84.92 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.71 168.51 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.71 56.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.5 p -79.05 -168.25 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -49.34 -31.06 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -134.07 159.68 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.777 ' HE2' HG11 ' A' ' 22' ' ' VAL . 5.3 mtm -146.0 120.32 9.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -79.75 126.88 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 103.8 13.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.76 158.87 16.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -87.71 -6.45 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.422 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.76 155.01 43.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.706 0.765 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.71 167.53 24.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.375 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -55.6 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.876 0.37 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.02 -156.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.66 -21.27 6.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.4 t -146.48 21.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.07 137.4 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -157.54 128.0 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.72 54.72 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -107.97 -43.34 4.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.0 -66.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -175.74 174.26 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.31 164.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m95 61.87 17.38 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.83 -37.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 -35.06 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.65 -43.76 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.48 36.67 16.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -149.23 162.88 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.814 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -139.52 -178.62 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -131.02 126.85 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.39 133.76 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 158.09 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 103' ' ' MET . 39.0 mm -125.22 129.04 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.33 80.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -120.2 -76.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.12 105.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 HD21 ' SG ' ' A' ' 105' ' ' CYS . 3.3 mm? -111.88 -57.59 2.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.45 -179.31 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -27.21 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HD2' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.01 -40.48 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 31' ' ' ARG . 28.6 m -113.32 48.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.58 -40.23 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.86 -20.69 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' HD3' ' A' ' 34' ' ' LYS . 30.3 t -65.11 -14.46 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -116.33 -1.34 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.82 -19.52 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -113.95 -30.35 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -79.06 -28.12 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.94 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.89 141.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -146.04 161.15 40.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 147.94 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.74 108.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 178.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -87.1 0.12 55.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.69 -15.06 6.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.31 144.43 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 111.112 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.29 168.57 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.08 -14.74 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -91.5 -26.67 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.22 -34.79 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.8 m-85 -69.93 -22.9 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.8 -2.66 37.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -1.94 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -111.13 -21.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 62' ' ' VAL . 53.2 t -95.12 -45.98 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.79 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.07 -53.05 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.87 -33.18 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.4 m -66.4 -39.15 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.627 HG13 HD23 ' A' ' 80' ' ' LEU . 75.2 t -50.9 -69.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -49.88 56.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -54.42 -32.12 56.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 36' ' ' LEU . 10.9 mt -115.71 61.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -127.26 36.08 0.32 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.4 m -156.0 66.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 73' ' ' LEU . 73.5 m -73.79 -7.52 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.88 -18.99 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.604 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.6 pp -96.18 -38.64 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HG ' ' A' ' 72' ' ' LEU . 9.8 mp -53.15 -42.6 66.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.502 HG23 ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -59.23 -20.66 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -30.17 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.54 ' SD ' HD12 ' A' ' 78' ' ' ILE . 5.4 ptp -91.36 -13.2 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.36 -46.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.54 HD12 ' SD ' ' A' ' 76' ' ' MET . 49.1 mt -59.04 125.35 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CG ' HG23 ' A' ' 74' ' ' THR . 11.2 t0 -128.35 106.45 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.627 HD23 HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -49.48 -31.08 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -25.19 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -88.52 -31.9 18.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.468 ' HZ3' HD12 ' A' ' 66' ' ' LEU . 24.2 m0 -53.87 -29.57 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -25.84 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.53 39.63 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.81 178.51 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -104.38 116.08 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 28' ' ' LEU . 4.2 m-85 -113.7 125.73 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.405 ' O ' HD23 ' A' ' 90' ' ' LEU . 98.1 m-85 -111.24 -174.47 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 105' ' ' CYS . 96.1 mt -151.21 156.01 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -158.08 174.12 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -166.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.89 0.4 55.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.713 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . . . -113.99 -25.74 8.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.69 30.1 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.713 ' OE2' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -125.79 144.61 50.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.9 tt0 -91.49 79.02 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -122.11 -169.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -117.81 54.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -79.91 179.58 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -44.52 62.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 126.31 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.583 ' HB3' HD13 ' A' ' 24' ' ' ILE . 31.6 ttm -125.58 129.88 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -107.99 117.47 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.619 ' HA ' HD23 ' A' ' 90' ' ' LEU . 26.8 t -80.95 93.9 6.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.4 p -90.17 137.31 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -85.41 -4.34 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.416 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.6 p90 -113.99 154.99 45.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.71 167.49 24.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 30.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.913 0.387 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.35 -172.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.45 96.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t 51.37 88.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -158.51 157.98 33.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -174.77 134.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.73 63.23 4.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 16' ' ' VAL . 27.2 mm-40 -102.35 -38.93 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.0 -61.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 15' ' ' GLU . 2.9 t -179.34 133.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 14' ' ' TRP . 1.6 p -51.18 156.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 4.9 m95 67.61 10.51 7.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.7 OUTLIER -138.98 -37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 10' ' ' GLU . 8.8 p -120.19 -27.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.16 -35.85 38.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.42 35.8 19.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -157.87 163.99 37.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.93 -174.73 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -144.17 115.24 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -128.99 137.78 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.33 163.96 12.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.7 132.54 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -161.84 86.59 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -120.36 -76.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 28' ' ' LEU . 30.5 tt0 -179.68 124.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -139.24 -55.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' HG22 ' A' ' 32' ' ' VAL . 4.1 t70 -134.37 172.29 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.62 -27.92 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -99.21 -24.5 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' OD2' ' A' ' 29' ' ' ASP . 28.6 m -132.53 46.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.98 -50.09 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -16.29 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -63.36 -21.47 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.87 5.99 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.17 -15.1 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.48 -32.54 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -89.62 -10.12 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.63 ' SG ' HG21 ' A' ' 65' ' ' THR . 4.8 p 179.41 84.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.31 -22.44 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.495 HG22 ' NE ' ' A' ' 23' ' ' ARG . 99.0 t -87.1 138.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 33.0 m-85 -135.61 137.8 42.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 126.39 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HE1' ' A' ' 54' ' ' PHE . 81.3 t -112.36 110.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 176.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.54 87.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.86 150.54 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -107.03 157.28 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.64 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.7 t -62.66 -16.33 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -92.07 -23.44 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -63.87 -35.47 80.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HE1' HG13 ' A' ' 45' ' ' VAL . 11.1 m-85 -71.16 -24.69 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.6 -23.06 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 12.39 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' GLU . 92.8 t -120.11 -31.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 11.5 t -94.01 -5.44 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -98.88 -23.1 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.41 -30.79 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.06 0.33 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.628 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 m -105.8 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 59' ' ' ALA . 96.7 t -58.01 -65.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -51.6 -37.71 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.63 HG21 ' SG ' ' A' ' 40' ' ' CYS . 33.8 m -70.03 -31.41 69.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -109.54 49.84 0.81 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mt-30 -127.04 36.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.732 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.4 Cg_endo -69.83 -48.54 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.289 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.56 60.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -66.4 -13.62 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.59 -17.77 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.565 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -95.91 -36.01 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.4 mt -61.26 -32.01 71.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -18.18 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -74.33 -24.33 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.3 -24.63 13.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.76 -34.38 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.78 109.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 132.92 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -90.94 -33.15 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -21.7 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.65 -30.61 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.49 ' HZ3' HD13 ' A' ' 66' ' ' LEU . 34.9 m0 -53.01 -39.97 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -71.68 -31.55 66.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.0 m -111.28 39.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.38 -174.56 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -110.61 100.91 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -97.97 110.06 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -94.81 135.41 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.4 mm? -96.26 139.18 32.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -148.53 -178.49 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.54 -174.87 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -73.26 -6.42 45.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.1 1.52 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.79 29.75 69.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -133.09 157.48 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.64 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.3 tt0 -90.72 77.69 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.62 -176.21 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.505 ' HD1' HG22 ' A' ' 51' ' ' VAL . 7.9 p90 -120.14 60.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -79.42 -174.92 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -29.32 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 129.37 36.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptm -129.07 125.43 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -82.59 163.68 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.4 p -120.13 92.07 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.99 139.28 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -78.9 -36.44 42.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.43 154.46 93.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.761 . . . . 0.0 110.906 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.55 24.09 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -55.68 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.49 -56.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 7' ' ' THR . 36.6 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -86.46 143.32 27.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.91 -89.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -168.24 27.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -72.84 167.22 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -174.39 133.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.78 77.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -109.86 -56.25 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.84 -46.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 15' ' ' GLU . 9.4 t -169.91 164.28 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.2 t -89.84 163.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.0 m95 62.91 16.6 9.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mm-40 -135.21 -41.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.42 -35.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.87 -29.87 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.62 39.91 86.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -153.73 173.81 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.46 -175.53 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -142.84 107.71 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 103' ' ' MET . 9.6 p -118.86 153.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 156.58 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG21 ' SG ' ' A' ' 105' ' ' CYS . 16.3 mm -111.34 140.33 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -160.88 64.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -120.73 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.606 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 pt-20 -179.08 159.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.681 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -172.0 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.42 -174.42 3.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.34 -33.41 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -31.88 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.85 39.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.81 -48.4 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.51 -13.84 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.502 HG23 ' HD3' ' A' ' 34' ' ' LYS . 86.8 t -71.25 -20.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.5 3.62 10.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.57 -24.12 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -120.1 -32.27 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -28.85 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.98 86.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.16 -10.5 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -88.58 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -144.23 150.48 38.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.65 142.62 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 54' ' ' PHE . 75.8 t -126.87 113.24 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 174.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.95 0.03 57.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.55 63.31 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.3 t -122.87 -171.69 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.163 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.4 OUTLIER -130.06 158.72 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 97' ' ' GLU . 21.1 t -59.23 -20.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.9 t -84.34 -25.82 28.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.88 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' HA ' HG12 ' A' ' 57' ' ' VAL . 13.6 m-85 -69.49 -18.4 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.07 -6.0 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -11.6 13.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.5 p -105.9 -27.92 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 58' ' ' VAL . 29.3 t -91.08 -7.87 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.92 0.02 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -118.27 -8.38 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . . . -105.61 2.11 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.01 -19.38 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.598 HG13 HD12 ' A' ' 80' ' ' LEU . 21.4 t -71.41 1.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -121.96 -7.02 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -121.11 -10.5 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 4.0 mm? -107.49 15.74 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.39 36.81 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.74 -25.22 28.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -153.89 53.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 m -58.62 -17.75 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -57.32 -20.76 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.4 pp -103.18 -36.73 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' HG ' ' A' ' 72' ' ' LEU . 6.7 mp -65.67 -38.55 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -69.14 -16.95 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 13.5 ptp -86.16 -28.46 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -23.2 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.7 mt -80.01 111.4 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.9 t0 -111.82 101.7 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.598 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -49.27 -30.79 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -28.38 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.8 pt-20 -88.37 -33.05 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.526 ' HB2' HD13 ' A' ' 80' ' ' LEU . 9.4 m0 -51.67 -42.54 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -40.8 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.5 p -100.62 34.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.0 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -113.66 100.25 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -88.35 125.54 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -110.17 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.49 163.45 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -162.47 164.76 26.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.92 -175.21 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -11.12 60.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.28 4.47 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.44 33.88 63.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -133.58 158.95 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -81.81 86.25 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -128.04 169.79 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -120.01 59.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -168.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -44.55 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -110.3 148.3 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 22' ' ' VAL . 4.7 mtt -132.42 147.09 52.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -119.51 133.01 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.2 m -99.85 102.29 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -100.24 118.14 35.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -65.19 -16.51 63.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.1 p90 -105.8 154.9 39.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.77 23.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.04 2.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.97 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.92 0.39 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -57.21 133.11 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.11 38.88 8.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 6' ' ' VAL . 9.6 t 44.65 36.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 8' ' ' PHE . 7.0 m -84.21 157.29 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.4 ' N ' HG22 ' A' ' 7' ' ' THR . 42.6 p90 -158.38 131.18 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -110.21 -54.32 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -164.41 -64.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' HG12 ' A' ' 16' ' ' VAL . 12.9 t -164.72 170.35 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.11 163.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.9 m95 61.69 17.72 8.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.524 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.8 OUTLIER -137.62 -39.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 12' ' ' THR . 12.2 p -125.02 -31.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -50.77 -45.53 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.1 35.67 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -147.31 176.64 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.418 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 44' ' ' THR . 0.8 OUTLIER -151.65 -176.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -140.39 114.16 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -129.32 152.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 155.43 43.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 103' ' ' MET . 2.7 mp -133.81 131.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -161.41 82.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -120.34 -75.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 178.97 131.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -55.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.567 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -126.69 177.96 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 -16.86 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.434 HH12 HD21 ' A' ' 72' ' ' LEU . 2.1 ptm180 -120.83 3.12 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 32' ' ' VAL . 3.1 p -162.33 38.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -39.54 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.667 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -66.13 -16.13 63.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' HD3' ' A' ' 34' ' ' LYS . 19.9 t -77.08 -12.62 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -120.68 3.68 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -120.5 -18.22 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.45 -28.79 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 -7.59 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p 179.77 85.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p -116.27 -18.05 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.26 139.9 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -139.38 153.77 47.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.1 m -99.95 136.5 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -116.66 121.08 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -54.32 176.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -26.45 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.832 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.13 83.81 0.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -132.1 156.02 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.113 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -114.67 152.27 32.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 99' ' ' PHE . 15.6 t -62.05 -17.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.0 t -93.28 -17.88 23.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -35.2 77.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 49' ' ' THR . 8.7 m-85 -72.98 -21.85 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.27 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 12.49 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.24 -31.81 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -93.15 -4.22 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.81 -6.87 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -112.9 -49.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -41.28 69.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 36' ' ' LEU . 93.8 t -60.81 -45.31 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.75 HG13 HD22 ' A' ' 80' ' ' LEU . 84.0 t -55.16 -42.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -48.92 -68.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -20.51 55.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 80' ' ' LEU . 10.5 mp -109.3 51.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.1 mm-40 -126.95 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.76 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HB ' HD23 ' A' ' 72' ' ' LEU . 1.1 m -158.1 70.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.698 ' CB ' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.23 -5.7 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -73.06 -14.56 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.743 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.5 pp -99.92 -38.47 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.743 HD12 ' HG ' ' A' ' 72' ' ' LEU . 8.3 mp -57.23 -42.87 82.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -59.74 -21.35 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -79.24 -32.29 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE3' ' HG ' ' A' ' 73' ' ' LEU . 5.7 ptp -87.88 -22.58 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 -42.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 73' ' ' LEU . 83.7 mt -63.13 118.92 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.37 135.7 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.75 HD22 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -90.7 -33.9 15.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -20.0 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -83.33 -30.66 27.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -51.61 -43.19 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -35.87 78.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.2 m -106.31 38.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 -176.0 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -113.97 98.18 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -90.43 118.33 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -102.09 125.43 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.5 mm? -100.9 90.1 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.99 -179.63 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -167.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.69 0.1 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.42 -3.55 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.81 35.61 8.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.35 156.73 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.86 69.57 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -119.98 131.4 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.11 57.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -77.95 -169.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -50.57 -31.61 16.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -133.22 130.54 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.0 ptt? -132.84 116.5 16.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -79.75 136.69 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.506 ' SG ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -93.54 89.0 6.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.31 127.53 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -72.24 -10.3 59.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.9 p90 -113.04 154.94 44.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.685 0.755 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.77 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.399 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.79 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.29 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.71 95.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t 53.8 91.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.572 HG21 ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -160.22 163.66 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -174.55 145.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 74.59 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.687 ' HB3' HG21 ' A' ' 16' ' ' VAL . 8.9 mt-10 -113.56 -43.08 3.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.7 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.721 ' O ' HG12 ' A' ' 16' ' ' VAL . 8.7 t -164.58 160.49 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.1 162.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.6 m95 62.39 17.12 9.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.5 OUTLIER -142.95 -46.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 12' ' ' THR . 8.6 p -102.89 -27.93 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.32 40.43 55.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -155.0 170.94 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.969 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -151.14 163.6 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -117.15 128.16 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.58 125.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.616 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -100.44 161.81 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.6 mm -121.27 139.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.6 m -161.35 75.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -121.27 -78.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 174.99 156.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -163.12 -54.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -138.7 -178.64 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.23 -42.78 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -77.44 -21.87 52.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.696 ' CG2' HD13 ' A' ' 66' ' ' LEU . 15.6 m -138.12 45.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.6 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.81 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.92 -14.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -1.37 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.13 -15.36 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -115.15 -30.91 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -86.55 -16.27 37.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 p -176.59 84.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -113.1 -13.35 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.616 HG22 ' NE ' ' A' ' 23' ' ' ARG . 93.0 t -90.12 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 144.42 42.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.3 p -132.61 115.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 149.47 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -25.39 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 73.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -140.75 165.42 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.701 0.286 . . . . 0.0 111.153 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -112.43 153.09 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' HG2' ' A' ' 97' ' ' GLU . 13.9 t -61.73 -18.22 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.8 t -90.66 -22.83 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -64.58 -32.45 74.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CE1' HG23 ' A' ' 45' ' ' VAL . 6.3 m-85 -77.27 -19.77 56.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.43 -17.76 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 16.06 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 53' ' ' GLU . 88.6 t -120.13 -32.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.1 t -90.36 -19.87 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -73.08 -25.2 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.13 -41.79 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.0 96.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.8 m -58.61 -38.94 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 80' ' ' LEU . 90.6 t -62.07 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.16 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -77.7 -36.18 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' CZ3' ' A' ' 83' ' ' TRP . 13.3 mt -107.05 60.9 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.736 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mm100 -127.17 35.7 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.69 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 68' ' ' PRO . 3.2 m -155.98 74.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -60.59 -18.7 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -57.53 -19.92 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.51 -55.13 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.516 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -52.67 -40.58 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -70.9 -24.94 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -75.46 -29.77 59.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.5 mtm -89.41 -30.19 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.2 -36.16 1.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.89 108.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 131.76 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.649 ' CD1' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -90.87 -30.42 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -16.64 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.5 pt-20 -84.92 -30.7 24.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.735 ' CZ3' HD12 ' A' ' 66' ' ' LEU . 16.5 m0 -49.91 -50.93 44.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -43.49 93.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.3 p -97.13 35.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 82' ' ' GLU . . . -117.76 163.0 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 t -89.23 138.75 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -129.58 121.76 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.51 171.17 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.712 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.3 mp -141.73 155.29 45.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -155.06 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -137.65 -169.26 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.95 2.47 51.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.24 -7.64 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.52 33.09 20.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.567 ' HG3' ' ND2' ' A' ' 98' ' ' ASN . 11.2 pt-20 -143.09 142.1 31.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.642 ' HG2' HG11 ' A' ' 51' ' ' VAL . 13.1 tt0 -83.87 91.15 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.567 ' ND2' ' HG3' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -136.63 -169.29 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -111.04 60.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -178.5 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -49.99 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -124.62 121.84 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.712 ' CE ' HD22 ' A' ' 90' ' ' LEU . 7.0 ptm -115.84 130.26 56.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -85.03 139.65 31.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB2' HG21 ' A' ' 24' ' ' ILE . 17.1 t -97.08 100.99 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.68 150.5 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -95.44 -0.75 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.42 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.9 p90 -111.16 154.98 43.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.73 167.77 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.377 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.47 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.73 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.556 0.693 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 72.46 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.373 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.3 mt -85.64 157.25 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.67 -171.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.57 -81.77 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.409 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -112.68 91.57 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.893 0.378 . . . . 0.0 111.124 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -160.83 148.93 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -174.7 134.37 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.97 60.03 8.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -100.38 -30.39 11.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -171.04 -54.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 15' ' ' GLU . 13.3 t -176.09 170.35 2.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -92.64 163.38 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 8.2 m95 62.74 16.67 9.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.574 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.3 mm-40 -135.53 -40.98 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.99 -36.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.03 -30.14 24.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.87 40.09 84.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -154.34 174.47 14.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.909 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -151.42 -175.39 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -135.23 127.03 29.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 100' ' ' SER . 48.1 t -136.48 147.09 27.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.118 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.612 ' C ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -125.2 160.5 29.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.612 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.7 mm -124.03 130.08 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.0 m -161.37 75.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -121.51 -77.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -176.83 134.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.855 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.69 -56.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -126.42 -172.98 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -120.24 -36.03 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.82 -46.33 5.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG23 ' OD2' ' A' ' 29' ' ' ASP . 14.7 m -100.91 39.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -76.62 -42.13 43.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -14.45 61.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.653 HG12 HG22 ' A' ' 65' ' ' THR . 65.9 t -71.82 -19.27 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.629 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.65 3.18 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -120.19 -30.51 4.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -110.77 -43.85 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -54.95 -41.44 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.8 86.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.53 -0.98 15.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.44 136.04 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' HG13 ' A' ' 58' ' ' VAL . 34.7 m-85 -143.43 156.25 44.6 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 20' ' ' LYS . 1.2 m -98.73 141.76 31.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.675 HG13 ' CE1' ' A' ' 54' ' ' PHE . 63.3 t -118.96 118.63 58.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -174.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.4 t -77.49 -57.01 4.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.75 90.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -140.86 163.35 33.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.165 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.528 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -109.01 157.92 18.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.633 HG22 ' HD1' ' A' ' 99' ' ' PHE . 10.3 t -64.9 -15.11 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.528 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.8 t -91.12 -24.02 20.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -32.46 73.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.675 ' CE1' HG13 ' A' ' 45' ' ' VAL . 6.4 m-85 -75.34 -19.26 59.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.52 -8.67 56.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 2.5 t -112.38 -14.39 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.66 -24.85 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 62' ' ' VAL . 94.3 t -89.14 -42.78 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.156 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -69.45 -23.65 63.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -68.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -52.35 -34.95 49.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 58' ' ' VAL . 86.4 t -55.66 -23.54 14.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG13 ' CD1' ' A' ' 80' ' ' LEU . 75.0 t -78.62 -67.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.098 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -26.38 57.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.653 HG22 HG12 ' A' ' 35' ' ' VAL . 74.3 m -76.31 -24.7 54.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.715 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.5 mp -119.39 56.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.719 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mt-30 -126.87 36.66 0.34 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.75 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG21 HD12 ' A' ' 72' ' ' LEU . 4.3 m -153.61 68.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.98 -27.54 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -52.6 -27.47 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HG21 ' A' ' 69' ' ' VAL . 52.5 mt -86.08 -48.3 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.695 HD12 HD23 ' A' ' 80' ' ' LEU . 12.3 mt -51.38 -49.46 61.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -24.69 66.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -82.98 -24.01 33.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.5 mtm -92.6 -24.98 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.62 -16.46 5.9 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.452 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 98.5 mt -84.51 114.57 25.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 111.136 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.79 134.14 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.695 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.0 -29.52 18.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.87 -23.7 60.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -79.66 -31.09 41.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.715 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 22.8 m0 -55.73 -38.8 70.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.1 p -73.39 -25.07 60.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.28 39.21 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.39 171.31 8.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.3 t -95.55 133.9 39.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.7 m-85 -119.2 95.18 4.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -86.2 105.24 16.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.932 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.0 mm? -80.05 111.9 16.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -100.98 172.77 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.9 -166.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -83.64 -2.7 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.752 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -107.89 -19.83 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 105.55 25.61 6.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.521 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.752 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.7 OUTLIER -124.75 172.21 9.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 -179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.525 ' CG ' HG11 ' A' ' 51' ' ' VAL . 1.2 tt0 -84.94 81.55 8.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -121.92 158.51 28.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.633 ' HD1' HG22 ' A' ' 51' ' ' VAL . 12.8 p90 -120.52 58.62 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 22' ' ' VAL . 8.3 t -79.62 -169.2 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.96 -28.79 17.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 -140.8 121.04 13.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 24' ' ' ILE . 10.3 ptt? -125.57 132.42 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -79.14 155.07 28.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 p -111.24 97.04 6.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.52 140.26 37.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -80.66 -37.09 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -69.97 154.16 94.86 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.634 0.731 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.6 23.98 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.709 2.272 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -48.44 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.671 2.248 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 121.593 0.711 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.7 Cg_endo -69.77 73.66 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.707 2.271 . . . . 0.0 112.324 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 4' ' ' LYS . 39.7 mt -86.65 157.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -48.84 102.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.861 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 47.09 -99.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG22 ' A' ' 6' ' ' VAL . 1.9 p -126.43 92.0 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.862 0.363 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.73 163.61 36.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -174.71 144.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.22 61.25 6.77 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.552 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.69 -56.34 2.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.905 0.383 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.81 -62.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -175.73 173.56 2.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -88.59 164.16 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 38.6 m95 61.71 17.59 8.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.53 -37.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.15 -34.96 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -49.73 -44.48 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.16 37.18 12.94 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.511 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -153.55 162.95 40.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.924 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.3 mptp? -136.68 -176.27 4.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -138.43 107.65 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.605 HG11 ' SD ' ' A' ' 103' ' ' MET . 8.8 p -119.18 153.35 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.47 135.62 54.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 103' ' ' MET . 3.7 mm -100.46 123.95 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.5 m -162.15 84.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -120.97 -76.86 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.1 pt-20 -175.57 131.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 27' ' ' GLU . 50.9 mt -150.19 -42.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -137.09 163.54 30.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.18 -20.33 11.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -24.99 12.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 m -129.91 39.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.98 -31.35 56.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.35 -15.69 59.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 35' ' ' VAL . 15.9 t -78.96 -5.48 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -120.35 -0.07 10.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -115.63 -16.05 11.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -112.49 -51.93 2.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -50.15 -46.96 54.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.1 t -178.31 92.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.06 -2.78 16.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 p -100.41 140.64 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -147.03 145.07 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.46 150.21 24.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.601 HG23 ' CE1' ' A' ' 54' ' ' PHE . 2.5 p -141.47 120.86 11.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -169.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.75 -20.91 14.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.57 10.94 32.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -69.7 169.39 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.755 0.312 . . . . 0.0 111.154 -179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.97 155.23 29.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.512 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.99 -17.25 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -89.94 -23.58 21.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.191 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -27.5 67.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -81.8 -15.59 53.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.0 39.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -126.29 8.45 7.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 54' ' ' PHE . 8.8 p -117.16 -23.62 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 17.7 t -97.0 -24.91 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -67.26 -29.42 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.83 -24.09 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.33 0.66 40.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 58' ' ' VAL . 18.4 m -109.97 -37.29 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 80' ' ' LEU . 98.4 t -55.29 -73.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -52.64 -39.14 61.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.3 m -63.53 -26.68 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.41 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 6.8 mp -122.24 60.08 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.4 mt-30 -126.85 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.77 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.658 2.239 . . . . 0.0 112.361 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 m -153.4 66.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -25.05 55.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.63 -29.65 18.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.3 mt -83.07 -51.86 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.494 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -51.26 -50.98 58.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -24.34 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -90.35 -28.44 18.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 76.3 mtm -80.46 -22.94 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 124.73 0.5 8.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.494 HG21 HD23 ' A' ' 73' ' ' LEU . 97.4 mt -104.06 115.6 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 111.1 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.21 133.94 33.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.555 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.85 -24.57 20.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -23.34 47.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -78.5 -31.17 47.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -54.79 -38.02 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.02 -23.28 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.838 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.8 m -120.99 39.51 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -118.48 -176.79 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.4 t -114.73 135.08 54.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -123.74 109.99 14.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -86.87 119.34 26.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.8 mm? -84.73 88.85 7.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -86.09 -179.51 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -132.48 -167.44 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -80.48 0.61 32.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.35 -5.34 14.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 87.84 16.48 59.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.09 153.42 23.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG2' HG11 ' A' ' 51' ' ' VAL . 4.3 tt0 -90.86 72.67 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -127.13 -174.68 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -112.34 59.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 92.4 p -79.9 -171.61 2.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -37.1 44.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.01 134.93 54.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.605 ' SD ' HG11 ' A' ' 22' ' ' VAL . 8.6 mtp -124.64 99.85 6.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -79.33 163.79 24.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.9 p -115.03 82.89 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.37 141.99 28.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -97.13 53.43 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -174.82 154.71 1.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.722 0.772 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.2 Cg_endo -69.81 168.54 21.33 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.699 2.266 . . . . 0.0 112.324 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.73 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.545 0.688 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 73.56 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.9 mt -85.48 150.64 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.11 131.15 50.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.55 -99.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.496 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.42 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.2 t -142.69 27.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.962 0.41 . . . . 0.0 111.137 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.07 166.63 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.152 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -171.56 135.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.3 75.81 0.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -108.48 -52.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -166.36 -51.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 HG23 ' HB2' ' A' ' 15' ' ' GLU . 12.9 t -175.99 170.94 2.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -87.11 164.3 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.5 m95 61.84 17.52 8.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 12' ' ' THR . 36.0 mt-10 -138.73 -38.13 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.62 -34.39 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -49.52 -43.47 45.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.57 37.0 14.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -154.71 168.54 26.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.942 0.401 . . . . 0.0 110.878 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.2 -176.2 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -139.1 124.06 18.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG11 ' SD ' ' A' ' 103' ' ' MET . 98.9 t -144.2 141.21 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' O ' HD13 ' A' ' 24' ' ' ILE . 1.3 mtt180 -108.08 162.06 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.584 HD11 ' HE2' ' A' ' 103' ' ' MET . 15.2 mm -128.66 121.29 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.9 m -161.55 87.96 0.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -120.1 -76.59 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 179.06 110.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.5 mp -123.41 -56.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -122.02 179.93 4.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.44 -27.84 7.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.6 -46.38 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.34 40.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -89.32 -33.46 16.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 -22.72 61.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 ' HB ' HD22 ' A' ' 66' ' ' LEU . 37.5 t -67.47 -20.72 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -110.35 6.97 22.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -114.98 -21.11 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -116.7 -25.76 7.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.55 -10.64 29.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.4 t -175.94 80.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -118.26 -29.97 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.3 t -86.77 138.46 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -139.46 159.28 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.27 139.52 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -119.7 119.21 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -170.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.4 t -82.56 -27.04 31.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.67 73.61 0.23 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.46 143.28 45.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.73 0.3 . . . . 0.0 111.164 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.87 170.39 7.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.81 HG11 ' HB3' ' A' ' 97' ' ' GLU . 9.5 t -69.01 -13.66 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -93.03 -27.98 16.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.189 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -60.42 -27.32 67.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.5 m-85 -79.3 -20.74 47.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.449 ' N ' HD21 ' A' ' 90' ' ' LEU . . . -80.48 -17.15 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 15.2 p -105.05 -3.61 22.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -105.94 -26.07 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.6 t -84.38 -42.18 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 88' ' ' PHE . . . -54.1 -26.89 29.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -95.12 -23.1 17.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.42 0.91 39.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 m -105.63 -32.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 80' ' ' LEU . 79.9 t -63.96 -75.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.18 -37.48 46.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.598 ' O ' HD23 ' A' ' 66' ' ' LEU . 97.3 m -69.55 -29.67 67.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.744 HD11 ' HB3' ' A' ' 36' ' ' LEU . 16.9 mt -124.22 61.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.0 OUTLIER -126.88 36.45 0.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.904 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.8 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.629 2.22 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -152.72 61.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -13.48 61.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.96 -17.53 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -97.61 -36.16 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.548 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.6 mt -60.54 -32.07 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.21 -17.23 61.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -77.48 -23.19 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.4 ptp -100.94 -25.68 14.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.56 -40.35 1.43 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.84 112.63 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 111.111 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.54 138.01 35.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.798 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.77 -31.07 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -27.33 66.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.441 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -75.41 -31.0 60.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.507 ' HB2' HG22 ' A' ' 63' ' ' VAL . 23.8 m0 -52.71 -34.48 52.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.02 -28.42 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.441 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.3 m -114.62 39.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.47 -174.06 2.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.446 HG21 ' CZ ' ' A' ' 89' ' ' TYR . 0.9 OUTLIER -126.83 109.11 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 59' ' ' ALA . 16.9 m-85 -102.08 75.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.446 ' CZ ' HG21 ' A' ' 87' ' ' THR . 86.9 m-85 -56.84 141.52 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 51' ' ' VAL . 2.2 mm? -98.65 160.64 14.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -168.28 171.58 9.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -118.25 -171.49 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.25 -11.2 60.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.43 -5.36 22.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 83.12 31.24 29.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -124.25 135.11 53.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.81 ' HB3' HG11 ' A' ' 51' ' ' VAL . 1.8 mt-10 -79.77 82.68 5.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -129.39 166.39 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -77.23 60.93 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.86 156.07 20.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.25 -28.9 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.34 127.01 54.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.639 ' SD ' HG11 ' A' ' 22' ' ' VAL . 1.8 mtp -124.34 109.3 13.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -79.83 125.13 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.526 ' SG ' HG11 ' A' ' 58' ' ' VAL . 1.0 OUTLIER -90.52 97.0 10.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.09 142.21 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -80.92 -5.98 58.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.0 p90 -110.29 154.54 42.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.642 0.734 . . . . 0.0 110.97 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.5 Cg_endo -69.8 168.11 22.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.236 . . . . 0.0 112.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -48.07 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.23 -34.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.596 0.712 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.6 Cg_endo -69.77 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 mt -89.52 156.77 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -56.17 136.97 52.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -49.82 -31.15 16.16 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' VAL . 3.5 t -108.15 36.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.863 0.363 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.502 HG21 HG22 ' A' ' 16' ' ' VAL . 1.3 m -160.9 138.36 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -169.88 126.88 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.71 46.14 54.32 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.442 ' HG3' HG23 ' A' ' 7' ' ' THR . 6.6 mm-40 -90.04 -33.86 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -161.47 -68.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.608 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.9 t -167.28 172.67 9.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.86 163.79 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 31.0 m95 61.51 17.8 8.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -138.76 -39.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 12' ' ' THR . 10.0 p -123.68 -30.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.7 -51.44 49.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.68 33.07 7.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -146.01 162.3 38.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.968 0.413 . . . . 0.0 110.909 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.2 mptp? -142.51 -176.46 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.868 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -135.13 106.26 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.533 HG21 ' SD ' ' A' ' 103' ' ' MET . 5.2 p -117.96 120.14 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 147.94 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.4 mm -104.64 138.23 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.5 m -160.99 77.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -120.7 -77.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.6 tt0 177.93 146.13 0.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -161.7 -56.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.69 173.54 9.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -112.38 -47.99 3.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -78.87 -31.6 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.488 ' CG2' HD23 ' A' ' 66' ' ' LEU . 4.6 m -121.53 39.7 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -72.9 -52.82 13.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -15.83 59.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.705 HG12 HG22 ' A' ' 65' ' ' THR . 87.5 t -70.99 -20.96 22.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -121.04 3.88 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -119.96 -23.54 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.11 -44.98 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -42.31 64.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.85 89.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -113.43 -2.49 13.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.9 138.9 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -146.5 144.55 29.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.41 141.84 56.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.166 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.628 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.1 p -135.29 109.47 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -179.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.35 -25.47 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.53 58.16 0.44 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.94 171.73 9.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 111.182 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -124.12 156.31 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG21 ' O ' ' A' ' 97' ' ' GLU . 7.4 t -60.26 -18.89 17.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.9 t -90.87 -28.62 18.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.07 -35.02 74.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.709 ' O ' HG22 ' A' ' 58' ' ' VAL . 4.7 m-85 -72.26 -21.68 61.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.08 -18.22 56.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.109 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.49 9.11 23.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.2 t -122.27 -28.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 54' ' ' PHE . 23.9 m -82.52 -40.46 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -66.88 -33.98 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.51 -63.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.62 -42.16 87.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 58' ' ' VAL . 56.8 t -54.45 -25.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.102 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ALA . 74.5 t -78.03 -68.38 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -25.26 32.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.705 HG22 HG12 ' A' ' 35' ' ' VAL . 63.7 m -77.57 -32.51 53.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 6.2 mp -109.86 56.19 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.96 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.708 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -126.74 36.77 0.35 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.74 -48.76 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.724 2.283 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG21 HD12 ' A' ' 72' ' ' LEU . 4.9 m -153.38 67.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -24.56 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -55.91 -23.79 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD12 HG21 ' A' ' 69' ' ' VAL . 69.3 mt -92.97 -45.88 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.502 HD12 HD23 ' A' ' 80' ' ' LEU . 11.2 mt -53.25 -36.79 61.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.45 -24.94 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.92 -22.44 58.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.2 mtm -99.09 -27.45 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 137.27 -33.76 2.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.91 110.23 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 111.09 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.91 135.0 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 HD23 HD12 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -90.79 -25.17 20.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -21.76 53.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.0 pt-20 -81.84 -31.34 31.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.698 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -54.65 -34.7 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.39 -23.82 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.829 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.8 m -119.83 39.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.1 -174.6 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.088 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 m -115.58 101.51 8.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -91.83 107.23 19.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -90.38 122.3 33.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.5 mm? -85.76 165.7 16.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -167.4 169.19 12.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.6 -168.71 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -76.36 -11.05 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -101.25 4.16 41.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.042 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 73.24 32.92 59.65 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -132.71 160.42 36.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.851 0.357 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.3 OUTLIER -81.41 85.6 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.849 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -126.93 169.38 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -118.05 60.53 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.11 -167.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.31 -32.12 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.819 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -131.5 178.36 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.533 ' SD ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -157.13 146.64 20.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -114.17 133.78 55.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.5 p -113.19 101.6 9.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.21 146.68 24.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -72.84 -10.39 59.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.11 155.02 43.24 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.705 0.764 . . . . 0.0 110.927 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.78 167.63 23.92 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.39 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.82 -34.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.543 0.687 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.6 Cg_endo -69.7 69.16 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.387 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.6 HG21 ' O ' ' A' ' 7' ' ' THR . 30.5 mt -80.76 159.04 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -57.23 -171.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.24 -84.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.28 80.79 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.904 0.383 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.6 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -156.02 168.48 27.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -149.87 -171.32 3.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.47 100.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HB2' HG11 ' A' ' 16' ' ' VAL . 6.4 mm-40 -114.21 -17.35 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -167.48 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -175.8 176.38 1.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -84.15 163.16 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.4 m95 61.23 17.84 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -142.22 -37.99 0.38 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -122.09 -34.27 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -50.2 -43.79 52.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.98 36.59 12.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.469 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -154.22 164.98 37.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.919 0.39 . . . . 0.0 110.95 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -138.62 -177.11 4.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -134.18 108.19 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 100' ' ' SER . 3.9 p -115.64 117.73 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -94.66 157.16 16.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.587 HG23 ' O ' ' A' ' 103' ' ' MET . 5.1 mp -127.42 136.76 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.5 m -161.43 80.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -120.1 -76.53 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 178.5 135.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD23 ' SG ' ' A' ' 105' ' ' CYS . 0.3 OUTLIER -144.04 -56.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.4 ' CG ' HG23 ' A' ' 32' ' ' VAL . 2.9 m-20 -125.62 -174.0 2.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.17 -31.93 4.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.751 ' HG3' HG13 ' A' ' 32' ' ' VAL . 15.7 ptm180 -110.92 -34.74 6.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.751 HG13 ' HG3' ' A' ' 31' ' ' ARG . 32.7 m -106.0 39.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.653 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -86.46 -49.47 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -55.29 -23.3 22.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.402 HG23 ' HD3' ' A' ' 34' ' ' LYS . 55.1 t -69.45 -23.66 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -97.83 -0.89 44.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.23 -8.82 9.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.89 -30.18 4.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.48 -12.64 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.0 p 179.87 85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.9 -22.97 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -107.06 142.99 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE1' HD13 ' A' ' 24' ' ' ILE . 8.5 m-85 -141.75 163.55 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.56 141.91 44.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.115 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG13 ' HB2' ' A' ' 20' ' ' LYS . 3.1 p -134.13 118.26 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -179.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.99 -0.18 50.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.92 69.06 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.7 161.68 32.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 111.156 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.533 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -114.71 156.68 24.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.8 t -62.23 -17.12 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.3 t -89.82 -23.93 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -29.55 70.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 7.4 m-85 -78.54 -16.2 57.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.84 -3.43 38.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.8 2.83 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -117.35 -26.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 58' ' ' VAL . 15.5 t -97.55 -2.9 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.99 -22.1 15.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.071 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.45 -49.94 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.28 -30.11 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.39 -48.73 34.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.739 HG13 HD11 ' A' ' 80' ' ' LEU . 62.8 t -47.94 -43.02 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -51.63 -50.23 60.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.529 ' O ' HD22 ' A' ' 66' ' ' LEU . 32.1 p -87.51 0.51 55.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.569 HD11 ' O ' ' A' ' 32' ' ' VAL . 3.9 mm? -122.9 29.93 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.84 36.23 0.33 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.571 0.701 . . . . 0.0 110.88 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.72 -49.12 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.285 . . . . 0.0 112.311 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.442 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.1 m -148.4 62.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.7 p -70.09 -10.63 59.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -66.14 -13.39 60.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 69' ' ' VAL . 2.5 pp -104.65 -23.31 13.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 72' ' ' LEU . 11.8 mt -77.86 -25.36 48.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -17.89 64.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -107.47 -6.51 17.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.9 mtm -95.39 -26.17 15.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 121.01 16.9 4.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.9 mt -129.79 108.4 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.46 129.69 34.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HG13 ' A' ' 63' ' ' VAL . 2.9 tm? -90.21 -30.87 17.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.38 -23.31 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.1 pt-20 -76.16 -30.63 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 26.9 m0 -52.11 -42.59 63.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.7 m -68.58 -35.19 77.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.6 m -106.18 38.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 107' ' ' PHE . . . -127.44 166.97 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.1 t -96.34 134.6 39.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -118.37 100.06 7.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -84.32 144.15 29.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -123.11 130.59 52.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.23 168.89 11.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.79 -166.89 1.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -79.92 -1.67 40.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.703 ' HB3' ' OE1' ' A' ' 96' ' ' GLU . . . -116.07 -26.69 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.3 28.97 2.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.703 ' OE1' ' HB3' ' A' ' 94' ' ' ALA . 0.9 OUTLIER -124.31 156.92 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -79.55 81.4 5.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -119.46 169.58 9.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -120.1 48.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -79.36 -169.74 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 m -51.79 -58.33 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -93.45 140.27 29.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.587 ' O ' HG23 ' A' ' 24' ' ' ILE . 6.8 ttp -145.23 110.9 5.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -79.1 138.88 38.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.451 ' SG ' HD23 ' A' ' 28' ' ' LEU . 9.4 p -103.84 104.73 14.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -108.76 143.55 37.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' HB1' ' A' ' 86' ' ' ALA . 3.2 t80 -82.95 -36.77 24.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.41 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 35.5 p90 -71.53 154.63 93.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.738 0.78 . . . . 0.0 110.879 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.3 Cg_endo -69.77 167.56 24.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.325 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.77 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.568 0.699 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.2 Cg_endo -69.76 73.27 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.59 147.4 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -76.52 143.38 40.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 64.3 -91.19 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.43 ' O ' HG13 ' A' ' 6' ' ' VAL . 7.2 p -167.99 26.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.942 0.401 . . . . 0.0 111.147 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.404 HG21 ' HG3' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -71.65 170.64 13.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -174.43 134.03 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.84 66.57 2.49 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG3' HG21 ' A' ' 7' ' ' THR . 6.3 mm-40 -105.95 -60.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.97 -64.98 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.567 ' O ' HG12 ' A' ' 16' ' ' VAL . 14.8 t -169.83 173.6 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.55 162.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 39.9 m95 61.81 17.5 8.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HB2' HG23 ' A' ' 12' ' ' THR . 6.8 mm-40 -136.82 -39.38 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 12' ' ' THR . 12.7 p -124.71 -32.15 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -51.12 -38.2 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.47 34.34 45.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -153.77 163.34 40.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.949 0.404 . . . . 0.0 110.9 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.598 ' O ' HG23 ' A' ' 44' ' ' THR . 0.5 OUTLIER -133.79 -175.42 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -145.15 107.42 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG21 ' CE ' ' A' ' 103' ' ' MET . 10.2 p -115.84 152.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.485 ' HD2' HG23 ' A' ' 42' ' ' VAL . 2.1 mpt_? -134.56 156.72 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.8 mm -125.65 130.08 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.7 m -160.72 70.41 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -120.12 -76.02 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.46 137.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 88' ' ' PHE . 1.3 tp -146.81 -54.87 0.24 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.05 164.1 28.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.02 -22.78 12.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -24.41 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.01 55.33 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -89.44 -48.26 7.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -59.03 -21.02 58.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG23 ' HD3' ' A' ' 34' ' ' LYS . 95.8 t -61.87 -21.93 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -115.85 6.1 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.46 -21.24 9.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -118.96 -26.94 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.657 ' HB3' HG21 ' A' ' 65' ' ' THR . 0.2 OUTLIER -91.45 -20.02 22.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.7 p -179.86 86.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.22 -16.09 11.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.485 HG23 ' HD2' ' A' ' 23' ' ' ARG . 2.3 p -105.69 142.12 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.127 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.01 139.95 38.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' LYS . 94.7 m -116.22 130.13 56.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.672 HG11 ' CE1' ' A' ' 54' ' ' PHE . 2.9 m -118.96 163.18 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -69.13 -169.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.68 -24.49 38.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.12 87.06 0.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -137.08 145.52 44.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.758 0.313 . . . . 0.0 111.165 -179.87 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.21 168.36 9.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.5 t -69.32 -14.45 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.9 t -91.94 -26.52 18.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.1 OUTLIER -63.4 -34.12 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CE1' HG11 ' A' ' 45' ' ' VAL . 8.4 m-85 -70.68 -21.84 62.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.24 -6.87 46.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.3 5.57 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.3 p -120.29 -9.27 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 58' ' ' VAL . 16.2 t -115.82 -3.9 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.71 -20.71 13.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -102.8 -40.57 6.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.5 83.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.0 m -54.14 -42.22 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 78.9 t -57.35 -47.92 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -51.23 -34.93 34.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.657 HG21 ' HB3' ' A' ' 39' ' ' LYS . 6.2 m -89.7 -21.62 22.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -104.89 49.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.724 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.1 mm-40 -127.01 35.95 0.31 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.583 0.706 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.724 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.76 -49.74 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.623 2.215 . . . . 0.0 112.398 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 68' ' ' PRO . 1.5 m -157.05 62.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.22 -13.79 60.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -62.25 -17.22 57.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.6 pp -96.61 -36.24 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 72' ' ' LEU . 25.2 mt -60.18 -33.09 71.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.31 -18.37 62.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -76.48 -23.84 53.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.2 ptp -100.73 -25.93 13.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.64 -33.86 2.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 80.5 mt -58.74 106.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.833 0.349 . . . . 0.0 111.095 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.6 130.37 34.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 2.8 tm? -91.01 -31.19 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.75 -14.06 61.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.4 pt-20 -86.92 -30.12 21.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 26.5 m0 -50.04 -51.32 43.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.14 -44.12 92.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.2 35.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.86 -176.64 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 27.1 m -111.84 89.03 2.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.447 ' HE2' HD21 ' A' ' 28' ' ' LEU . 3.5 m-85 -84.63 120.66 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -99.62 161.97 13.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.0 OUTLIER -136.67 147.32 46.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -142.52 -178.77 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.44 179.34 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -71.98 -17.34 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.36 -1.58 35.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.63 35.26 11.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -127.56 145.79 50.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.859 0.361 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.96 75.28 6.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -123.07 174.85 6.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -119.37 56.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -79.74 -168.62 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.4 -31.96 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.5 ttp180 -124.46 139.35 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.627 ' CE ' HG21 ' A' ' 22' ' ' VAL . 5.5 ttp -140.3 111.52 7.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -79.74 123.41 27.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.6 t -90.4 101.34 14.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.85 149.7 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -95.87 18.46 13.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.414 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.4 p90 -135.66 155.06 78.46 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.716 0.77 . . . . 0.0 110.957 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.4 Cg_endo -69.81 167.68 23.81 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.44 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -179.85 -34.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 121.592 0.711 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.552 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.4 Cg_endo -69.73 -5.3 15.86 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.37 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 mt -86.14 155.36 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -57.16 151.33 15.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -48.88 -45.94 31.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.462 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t -107.86 55.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.933 0.397 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.643 HG23 ' HG3' ' A' ' 10' ' ' GLU . 7.1 m -161.98 145.3 12.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -172.27 126.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.62 46.3 38.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.643 ' HG3' HG23 ' A' ' 7' ' ' THR . 5.0 mm-40 -87.38 -34.93 18.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -147.63 -68.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.621 ' O ' HG12 ' A' ' 16' ' ' VAL . 3.5 t -176.86 142.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.67 158.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 10.0 m95 63.72 12.27 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.555 ' HB2' HG23 ' A' ' 12' ' ' THR . 13.5 mt-10 -152.46 11.46 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 12' ' ' THR . 9.3 p -157.58 -34.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -23.34 64.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.27 39.54 62.04 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -158.02 164.85 36.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.939 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.811 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.6 mptp? -141.89 -179.97 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -131.55 125.73 33.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG11 ' SD ' ' A' ' 103' ' ' MET . 99.3 t -126.16 144.67 35.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.73 155.03 36.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.3 mm -116.23 136.99 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.2 m -159.54 67.72 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -120.75 -77.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 177.24 150.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD22 HD13 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -159.47 -54.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -140.5 176.31 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.98 -46.71 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -26.79 60.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG2' HD23 ' A' ' 66' ' ' LEU . 34.8 m -131.43 39.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -69.56 -58.43 3.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -20.81 64.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.87 -20.3 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.1 pp -117.99 9.1 12.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -120.5 -25.13 5.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.58 -23.17 10.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -100.99 -6.16 24.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.28 84.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 p -125.76 -36.62 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.0 p -88.42 135.61 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -142.42 149.76 39.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.2 147.82 28.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.079 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.0 p -140.07 113.26 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.61 169.9 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 t -77.88 -6.83 55.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.21 -19.82 7.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.58 140.25 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.096 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.51 169.23 9.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.8 t -69.0 -12.73 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -94.68 -27.48 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.17 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 57' ' ' VAL . 4.3 tt0 -61.03 -37.73 83.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -65.38 -30.22 71.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.36 -24.7 56.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.27 12.62 23.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 53' ' ' GLU . 98.2 t -120.23 -31.64 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -94.26 -4.16 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.491 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . . . -111.04 0.21 16.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -36.44 6.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.47 -31.95 37.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.7 m -64.53 -32.52 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 80' ' ' LEU . 93.1 t -58.21 -69.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -30.2 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.0 m -74.67 -24.31 58.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 36' ' ' LEU . 6.5 mp -120.93 54.6 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.72 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.3 mt-30 -127.05 36.67 0.35 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.639 0.733 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.72 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.78 -48.41 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.376 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.456 ' HB ' HD23 ' A' ' 72' ' ' LEU . 4.1 m -153.54 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -8.23 54.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.61 -14.57 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.607 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -100.31 -24.68 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 72' ' ' LEU . 10.4 mt -76.54 -28.68 56.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -22.89 63.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -99.53 -20.34 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.62 -26.66 37.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 120.43 17.28 4.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.7 mt -129.19 112.01 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.96 135.23 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.502 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -90.71 -34.02 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.55 -23.57 65.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' A' ' 85' ' ' VAL . 7.1 pt-20 -78.02 -30.25 49.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 22.6 m0 -54.64 -27.26 38.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.15 -25.64 27.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.478 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.2 m -116.97 40.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.09 -179.94 3.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 m -104.34 101.7 11.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 59' ' ' ALA . 3.1 m-85 -95.15 127.87 41.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -113.16 171.67 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.2 mp -141.53 166.47 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -161.74 179.32 8.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.67 177.83 7.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.03 -14.18 61.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.82 5.53 45.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.94 30.67 67.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -131.32 155.23 47.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.894 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -80.66 86.84 5.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -128.51 172.37 11.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -117.08 54.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.9 -165.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.71 -54.75 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -126.01 157.25 38.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.549 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.4 ptm -147.1 135.24 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -79.82 138.2 37.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 39.6 t -103.98 100.89 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.79 148.99 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.79 -1.63 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.43 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.1 p90 -113.27 155.03 45.1 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.661 0.744 . . . . 0.0 110.921 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.75 167.83 23.3 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -48.14 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.81 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.547 0.689 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 78.13 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 21.0 mt -91.3 114.66 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 tttm 41.61 -154.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.35 87.62 0.97 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 6' ' ' VAL . 48.9 t 55.78 67.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.0 m -161.0 150.16 16.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -162.21 145.97 11.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.4 58.36 13.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -112.06 -56.63 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -131.87 -67.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 t -175.42 175.15 2.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 14' ' ' TRP . 1.9 t -90.4 164.34 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.403 ' H ' HG12 ' A' ' 13' ' ' VAL . 37.3 m95 61.84 17.36 8.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -138.37 -37.55 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 t -124.85 -35.42 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -49.85 -44.83 49.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.78 36.78 12.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -151.53 166.88 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.952 0.406 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.69 -176.11 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -137.25 104.4 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 103' ' ' MET . 11.3 p -112.44 151.57 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.3 158.07 39.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.418 HG13 HG11 ' A' ' 58' ' ' VAL . 49.7 mm -118.48 127.82 75.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.8 m -161.03 77.94 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -120.29 -76.26 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.634 ' O ' HD22 ' A' ' 28' ' ' LEU . 1.7 mt-10 179.0 129.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -143.44 -57.24 0.4 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.521 ' OD1' HD13 ' A' ' 78' ' ' ILE . 50.0 m-20 -130.8 173.01 11.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -109.64 -47.71 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 tpt85 -76.54 -18.47 58.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -139.09 43.68 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.95 -58.33 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -12.99 60.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 39' ' ' LYS . 52.8 t -69.81 -16.7 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 28' ' ' LEU . 2.2 pp -120.64 2.43 10.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -25.83 6.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -113.13 -45.1 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.9 OUTLIER -51.71 -48.76 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -169.92 83.84 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.16 -0.21 11.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.86 142.58 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.587 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 73.4 m-85 -149.12 159.18 44.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.5 136.1 49.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG13 ' CE1' ' A' ' 54' ' ' PHE . 94.9 t -116.88 120.35 64.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.19 -172.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.2 t -82.85 -37.03 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.1 84.5 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.458 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.09 164.9 28.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.766 0.317 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.08 155.58 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG22 ' HD1' ' A' ' 99' ' ' PHE . 14.1 t -61.46 -17.68 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.7 t -90.24 -22.61 21.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -23.9 65.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.8 m-85 -85.84 -14.6 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.56 -13.3 59.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.26 -5.45 16.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 54' ' ' PHE . 5.0 p -108.52 -26.81 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.587 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 42.4 t -95.01 -15.02 7.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.08 0.29 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -113.07 -33.92 5.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.17 0.64 40.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.4 m -101.72 -35.28 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 80' ' ' LEU . 97.7 t -60.75 -64.93 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.6 ptmt -55.65 -24.78 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.7 m -83.79 -24.98 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 1.7 mm? -113.92 50.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.733 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.8 OUTLIER -127.08 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.724 . . . . 0.0 110.966 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.71 -48.41 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.5 m -154.36 66.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.5 ' HA ' HD12 ' A' ' 73' ' ' LEU . 1.4 p -70.92 -10.51 59.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -67.74 -12.98 61.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 72' ' ' LEU . 2.2 pp -108.91 -6.62 15.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 70' ' ' SER . 16.4 mt -96.93 -21.02 17.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.83 0.26 40.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 0.72 17.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.425 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 7.6 ptp -116.79 -26.21 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.25 1.4 5.71 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.521 HD13 ' OD1' ' A' ' 29' ' ' ASP . 68.8 mt -105.43 104.88 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 111.158 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.63 135.28 36.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -91.03 -34.1 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -22.23 65.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.0 pt-20 -79.07 -30.53 44.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 35.1 m0 -51.82 -40.46 60.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.1 p -71.36 -34.54 70.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' A' ' 82' ' ' GLU . 33.0 m -107.77 39.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.38 173.35 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 m -95.41 109.32 21.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -93.54 125.55 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -116.65 153.51 32.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 mp -134.7 142.87 46.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -136.49 -178.87 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.51 -168.56 1.83 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.43 -15.98 55.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.62 2.26 49.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.1 30.1 51.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -129.1 161.1 30.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.909 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 84.21 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.2 164.3 19.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HD1' HG22 ' A' ' 51' ' ' VAL . 11.4 p90 -120.01 58.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.88 -169.73 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.42 -34.44 34.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -122.19 148.5 44.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 2.0 mtt -140.61 140.27 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -105.08 115.11 29.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.5 t -85.76 98.54 10.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.85 153.49 17.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -97.65 37.5 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.429 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.7 p90 -159.49 155.02 22.42 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.716 0.77 . . . . 0.0 110.896 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.81 167.65 23.91 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.34 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.88 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.533 0.682 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.1 Cg_endo -69.68 72.53 1.4 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.365 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.723 HG22 ' HD2' ' A' ' 4' ' ' LYS . 34.7 mt -84.53 144.97 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.723 ' HD2' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -54.31 145.72 17.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.56 -99.89 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.532 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.6 t -149.89 24.3 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.461 ' O ' HG21 ' A' ' 3' ' ' ILE . 5.6 m -72.8 157.75 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -162.65 133.11 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 62.04 3.86 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -103.94 -47.88 4.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -169.68 -65.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.593 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.2 t -167.92 171.08 10.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -86.01 163.11 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.6 m95 61.62 17.91 9.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.2 mt-10 -138.27 -39.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 12' ' ' THR . 10.1 p -124.16 -30.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.4 -41.12 51.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 78.6 31.99 43.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -151.08 158.01 43.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.927 0.394 . . . . 0.0 110.958 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.815 ' HB2' HG13 ' A' ' 45' ' ' VAL . 2.4 mptp? -132.86 166.38 22.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -127.44 108.47 10.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.607 HG21 ' SD ' ' A' ' 103' ' ' MET . 12.0 p -108.04 146.68 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.111 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 ' HD2' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -128.18 164.2 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.543 HD11 ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -125.06 146.62 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.6 m -154.16 34.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -92.13 -73.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 176.61 169.93 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.644 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -171.97 -53.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.66 -177.29 4.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -118.44 -34.77 3.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.52 -23.29 13.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG23 HD23 ' A' ' 66' ' ' LEU . 6.5 m -129.4 40.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -71.17 -51.45 24.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -15.47 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.546 HG12 HG22 ' A' ' 65' ' ' THR . 59.0 t -63.87 -16.11 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.644 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.18 -2.28 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -108.83 -26.37 10.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.79 -32.35 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -83.51 -23.74 31.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -177.13 86.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.7 -17.24 9.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG22 ' HD2' ' A' ' 23' ' ' ARG . 22.0 t -81.39 142.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 97.8 m-85 -151.27 135.47 16.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.47 151.5 29.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.102 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.815 HG13 ' HB2' ' A' ' 20' ' ' LYS . 1.8 p -151.66 111.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.96 176.75 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.0 t -81.01 -20.3 42.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.45 72.14 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.2 OUTLIER -135.78 169.24 17.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.706 0.289 . . . . 0.0 111.152 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -116.64 156.4 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 97' ' ' GLU . 15.4 t -62.84 -16.39 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -91.07 -23.5 20.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -67.47 -31.06 70.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CE1' HG23 ' A' ' 45' ' ' VAL . 3.7 m-85 -76.61 -18.73 58.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.77 -20.17 61.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.6 8.7 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 53' ' ' GLU . 87.9 t -120.02 -31.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 21.5 t -92.56 -17.28 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.36 -19.79 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -97.11 -27.81 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.3 0.33 42.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 58' ' ' VAL . 11.7 m -103.45 -35.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.1 t -58.01 -65.16 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -36.93 63.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.546 HG22 HG12 ' A' ' 35' ' ' VAL . 61.3 m -71.53 -24.01 61.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 32' ' ' VAL . 7.3 mp -119.28 61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 3.1 mm-40 -126.76 36.63 0.34 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.583 0.706 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.3 Cg_endo -69.76 -49.43 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.531 HG21 HD12 ' A' ' 72' ' ' LEU . 3.6 m -154.65 65.77 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.07 -27.3 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -55.94 -23.84 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD12 HG21 ' A' ' 69' ' ' VAL . 47.7 mt -91.54 -48.42 6.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD23 HG21 ' A' ' 78' ' ' ILE . 7.2 mp -52.22 -44.34 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 m -55.25 -25.56 34.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.79 -19.19 20.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.908 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtm -94.28 23.26 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.18 36.51 63.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.423 HG21 HD23 ' A' ' 73' ' ' LEU . 85.3 mt -142.56 113.01 2.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.81 142.67 33.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.688 HD21 ' HG2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -90.82 -31.7 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.44 -22.49 66.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -86.16 -30.91 22.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.401 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 28.5 m0 -56.75 -32.92 66.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 p -80.2 -19.38 47.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.6 m -125.56 39.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.53 -178.09 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.5 m -117.41 102.81 9.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -88.15 104.44 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -90.11 123.72 34.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.4 mm? -99.32 103.65 15.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -89.59 -177.63 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.06 -173.21 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -78.74 -15.77 58.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.89 0.02 54.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.73 34.14 28.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -128.12 165.21 20.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' HG2' HG11 ' A' ' 51' ' ' VAL . 7.3 tt0 -102.03 61.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -112.85 -175.84 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -114.62 62.36 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 t -77.27 -165.79 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.0 m -46.01 -45.89 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.85 178.19 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 22' ' ' VAL . 1.4 mtt -147.75 156.62 42.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -119.62 120.4 36.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 104.72 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.07 115.91 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -64.61 -15.3 60.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.433 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.8 p90 -107.97 155.06 40.68 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.9 Cg_endo -69.74 167.56 24.07 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -55.69 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.716 2.278 . . . . 0.0 112.362 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.615 0.722 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.1 Cg_endo -69.75 -38.04 8.38 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.36 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 3' ' ' ILE . 8.5 mt 55.74 38.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.13 3.98 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.75 -75.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.444 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 7' ' ' THR . 2.9 t -80.24 161.94 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.41 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.2 OUTLIER 67.61 145.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -153.45 129.03 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.64 53.3 2.61 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -96.94 -66.24 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -70.57 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.749 ' O ' HG12 ' A' ' 16' ' ' VAL . 13.2 t -175.79 176.74 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.522 HG13 ' CB ' ' A' ' 1' ' ' ALA . 2.4 t -82.65 161.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.9 m95 61.9 17.32 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -138.94 -51.26 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -102.2 -24.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 3' ' ' ILE . 9.3 pt20 -60.11 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.9 40.59 63.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -153.81 170.74 20.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.951 0.405 . . . . 0.0 110.94 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.1 mptp? -150.41 -177.2 5.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -128.07 119.68 25.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.522 HG11 ' SD ' ' A' ' 103' ' ' MET . 95.8 t -121.71 127.18 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.753 ' O ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -103.04 155.22 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 23' ' ' ARG . 7.9 mm -128.52 122.14 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -161.37 86.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -120.97 -79.06 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER 176.5 123.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 HD21 ' HE2' ' A' ' 88' ' ' PHE . 2.1 mp -133.61 -56.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD2' HD13 ' A' ' 78' ' ' ILE . 0.9 OUTLIER -126.65 -175.99 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -116.16 -41.63 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -95.94 -35.02 11.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.73 ' HB ' HD11 ' A' ' 66' ' ' LEU . 11.5 m -114.37 51.45 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -103.77 -36.71 7.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -23.02 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.4 ' HB ' HD13 ' A' ' 66' ' ' LEU . 99.3 t -67.7 -23.16 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.43 9.22 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -120.66 -30.5 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.17 -21.05 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -6.31 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -179.3 84.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.8 p -127.27 -37.88 2.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -88.74 135.3 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -142.44 156.0 45.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.5 p -146.1 134.81 16.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.1 pt-20 -71.03 -175.65 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 0.08 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.38 71.68 0.49 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -136.39 156.86 48.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.499 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.09 155.17 25.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 97' ' ' GLU . 14.8 t -62.46 -16.71 17.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.499 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -91.24 -24.36 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -35.37 80.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CE1' HG21 ' A' ' 49' ' ' THR . 10.7 m-85 -71.36 -23.26 61.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -19.8 62.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.3 t -108.72 13.22 25.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.9 t -120.15 -41.77 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.147 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.0 t -79.98 -22.4 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -69.19 -34.11 74.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' OE2' ' HB3' ' A' ' 59' ' ' ALA . 2.6 mm-40 -97.25 -37.79 9.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.18 17.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 58' ' ' VAL . 59.0 t -87.8 -28.75 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG13 ' CD1' ' A' ' 80' ' ' LEU . 94.0 t -69.7 -61.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -57.93 -21.13 42.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -92.47 -22.52 19.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.73 HD11 ' HB ' ' A' ' 32' ' ' VAL . 11.1 tp -116.76 63.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 5.4 mm-40 -126.97 36.33 0.33 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.596 0.713 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.7 Cg_endo -69.77 -50.32 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.663 2.242 . . . . 0.0 112.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.6 OUTLIER -159.03 68.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -11.2 60.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -66.82 -13.71 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.557 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.4 pp -100.79 -14.73 17.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 72' ' ' LEU . 6.9 mt -90.63 -22.97 20.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.75 -10.26 59.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.8 p30 -93.53 -12.51 29.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.591 ' SD ' HD12 ' A' ' 78' ' ' ILE . 4.1 ptp -106.47 -19.98 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.46 -26.98 5.1 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.591 HD12 ' SD ' ' A' ' 76' ' ' MET . 95.6 mt -69.16 106.73 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.69 131.62 35.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 80' ' ' LEU . 2.0 tm? -90.29 -31.82 16.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -22.27 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.449 ' HA ' HG22 ' A' ' 85' ' ' VAL . 9.4 pt-20 -78.57 -30.82 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.49 ' CZ3' HD23 ' A' ' 66' ' ' LEU . 28.2 m0 -54.13 -34.81 61.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.78 -27.98 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.7 m -114.38 39.44 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.37 -169.89 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.9 m -123.51 97.84 5.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.624 ' HE2' HD21 ' A' ' 28' ' ' LEU . 4.9 m-85 -95.59 108.93 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -90.42 134.3 34.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.4 mm? -88.96 152.07 21.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -153.5 174.31 14.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -130.95 -178.89 5.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.81 -12.64 61.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -98.67 4.17 47.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.02 30.64 65.21 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -128.84 158.09 39.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' O ' HG21 ' A' ' 51' ' ' VAL . 3.9 mt-10 -80.44 86.04 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -129.26 166.4 19.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -115.85 60.25 0.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.27 -167.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.6 -29.76 11.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 16.1 ttm-85 -150.62 134.0 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.522 ' SD ' HG11 ' A' ' 22' ' ' VAL . 9.7 ptt? -127.25 132.52 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -79.92 148.2 31.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.3 p -116.54 98.29 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.76 150.19 24.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -75.23 -57.22 4.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.406 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -52.39 154.88 4.0 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.69 0.757 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.78 167.55 24.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.659 2.24 . . . . 0.0 112.374 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -48.43 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 2.246 . . . . 0.0 112.334 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.91 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.522 0.677 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.0 Cg_endo -69.76 -29.82 23.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.622 HG22 ' H ' ' A' ' 4' ' ' LYS . 0.8 OUTLIER 54.17 179.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' H ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -72.92 -5.18 36.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.74 -53.33 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 7' ' ' THR . 3.1 t -111.86 161.39 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.915 0.388 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.414 ' N ' HG12 ' A' ' 6' ' ' VAL . 33.0 m 65.5 149.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -163.49 137.81 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.9 59.6 6.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.529 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -112.24 -34.44 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.886 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -139.66 -65.16 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' ' 15' ' ' GLU . 14.3 t -175.7 174.94 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.3 t -95.08 164.23 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.422 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.4 m95 63.11 16.46 9.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' ' 12' ' ' THR . 35.8 mm-40 -137.24 -41.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -105.85 -36.95 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' OE1' ' HB1' ' A' ' 1' ' ' ALA . 7.9 pt20 -51.75 -30.31 22.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.64 39.38 78.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -154.77 174.79 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.948 0.404 . . . . 0.0 110.945 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' HG13 ' A' ' 45' ' ' VAL . 1.4 mptp? -149.19 -176.09 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -140.55 92.95 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG21 ' HG2' ' A' ' 103' ' ' MET . 12.0 p -105.55 137.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.08 152.76 32.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 mm -113.65 136.72 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 100.0 m -161.76 82.07 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -120.09 -81.14 0.63 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.706 ' O ' HD22 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 174.54 138.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD22 ' O ' ' A' ' 27' ' ' GLU . 2.1 mm? -137.64 -58.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' OD2' HG23 ' A' ' 32' ' ' VAL . 44.0 t0 -132.35 152.33 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.57 -20.53 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.895 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 -22.2 6.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 32' ' ' VAL . 47.2 t -115.87 60.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.121 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.22 -29.7 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -13.56 61.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 66' ' ' LEU . 61.8 t -74.31 -23.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.674 ' HB3' HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -110.41 7.95 23.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -110.1 -33.89 6.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.79 -43.33 2.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.94 -13.97 61.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.718 ' HB2' HG21 ' A' ' 65' ' ' THR . 0.0 OUTLIER 178.7 94.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.842 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.9 p -139.76 -41.91 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -88.83 132.14 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -141.25 149.59 41.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 152.43 21.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.4 p -147.98 133.49 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' HG22 ' A' ' 45' ' ' VAL . 6.7 pt-20 -70.08 -175.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.14 -0.04 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.85 72.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.44 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.54 155.42 50.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.747 0.308 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.532 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -112.92 156.88 22.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.9 t -61.86 -17.21 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -89.87 -23.5 21.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -31.71 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.631 ' HA ' HG12 ' A' ' 57' ' ' VAL . 9.8 m-85 -75.42 -18.12 59.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.46 -6.79 46.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.87 -16.36 13.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.631 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -99.74 -21.8 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 95.8 t -86.28 -23.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.37 -14.23 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.83 0.33 22.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -119.14 -51.4 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.492 HG13 HD13 ' A' ' 66' ' ' LEU . 63.9 t -53.7 -45.43 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.112 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.624 HG13 ' CD1' ' A' ' 80' ' ' LEU . 59.4 t -59.7 -42.37 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.95 -50.16 74.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.718 HG21 ' HB2' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -66.73 -44.09 82.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.674 HD11 ' HB3' ' A' ' 36' ' ' LEU . 7.9 mp -82.88 54.36 2.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.732 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mm100 -126.67 36.34 0.33 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.701 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.732 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.6 Cg_endo -69.79 -49.47 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -158.98 67.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.163 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.49 ' HA ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -61.33 -18.03 56.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.41 -22.59 54.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.0 pp -97.75 -38.1 9.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.711 HD23 HG21 ' A' ' 78' ' ' ILE . 10.3 mp -53.99 -38.08 64.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.39 -23.25 65.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -77.73 -29.87 51.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.7 ptp -89.53 -27.29 20.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.72 -42.7 1.05 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.491 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD23 ' A' ' 73' ' ' LEU . 88.5 mt -55.58 130.04 17.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.42 120.07 39.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.624 ' CD1' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -71.34 -12.15 61.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -22.01 16.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 85' ' ' VAL . 13.7 pt-20 -88.85 -26.22 21.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.702 ' CH2' HD12 ' A' ' 28' ' ' LEU . 6.4 m0 -56.65 -36.98 70.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 p -75.34 -28.55 59.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' HA ' ' A' ' 82' ' ' GLU . 30.5 m -112.54 39.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.56 -179.72 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.473 HG22 ' CE2' ' A' ' 89' ' ' TYR . 3.2 m -105.09 96.42 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -89.41 143.71 26.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.473 ' CE2' HG22 ' A' ' 87' ' ' THR . 91.6 m-85 -129.42 170.28 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.72 167.97 20.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -164.07 -178.23 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -142.67 -178.94 6.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.15 -11.19 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -100.63 5.35 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.68 31.65 62.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -129.55 155.23 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.8 tt0 -90.52 70.52 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -114.24 -176.05 2.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -120.12 59.3 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.1 t -79.67 -169.2 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.5 m -51.94 -29.15 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 ttm-85 -148.52 133.65 18.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.582 ' HG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -136.01 131.51 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -79.82 132.97 36.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.8 t -101.46 103.34 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.19 169.9 8.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -107.76 0.63 22.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.437 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.0 p90 -113.16 155.18 44.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.643 0.735 . . . . 0.0 110.939 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.54 24.17 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.348 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.34 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.636 2.224 . . . . 0.0 112.373 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.75 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.545 0.688 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.4 Cg_endo -69.75 -7.5 21.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 7' ' ' THR . 2.7 mt -88.39 167.12 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.504 ' H ' HG22 ' A' ' 3' ' ' ILE . 1.3 ptmt -64.79 -10.94 31.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 125.57 -82.3 0.35 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -90.41 59.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.932 0.396 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.743 HG21 ' CG2' ' A' ' 16' ' ' VAL . 18.8 m -162.26 145.96 11.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -174.89 126.38 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 49.47 34.35 19.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.618 ' HG3' HG23 ' A' ' 7' ' ' THR . 16.8 mm-40 -82.32 -49.93 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.0 -68.26 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.56 ' O ' HG12 ' A' ' 16' ' ' VAL . 11.9 t -176.13 178.96 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.81 162.57 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 40.4 m95 61.76 18.09 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.36 -40.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.743 ' CG2' HG21 ' A' ' 7' ' ' THR . 13.7 p -125.53 -31.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -49.92 -47.25 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.45 35.91 10.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.539 ' HD1' HG22 ' A' ' 44' ' ' THR . 6.5 m-85 -153.12 164.52 37.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.958 0.409 . . . . 0.0 110.917 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -138.47 -175.68 4.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -128.05 107.43 9.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.69 HG21 ' CE ' ' A' ' 103' ' ' MET . 7.6 p -109.91 130.26 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.175 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.21 153.01 24.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.6 mm -127.56 135.03 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.48 79.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -120.65 -79.62 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.661 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER 175.45 145.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.661 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -152.31 -55.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.01 -179.73 4.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -111.76 -44.17 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 tpt85 -89.83 -31.37 17.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.9 m -117.98 49.2 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -84.19 -44.01 14.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.508 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.61 -22.09 63.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG23 ' HD3' ' A' ' 34' ' ' LYS . 90.4 t -60.44 -17.99 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 ' HB3' HD21 ' A' ' 66' ' ' LEU . 1.5 pp -120.7 3.8 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -122.16 -6.27 8.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.89 -37.49 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 23.43 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -178.29 48.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.4 p -109.1 -33.77 6.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.9 t -87.15 137.36 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -142.07 161.56 37.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.539 HG22 ' HD1' ' A' ' 19' ' ' TYR . 0.2 OUTLIER -109.16 155.8 20.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.531 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.6 p -151.27 127.18 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -169.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -91.05 -24.8 19.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -116.8 83.68 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.515 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -139.99 166.63 24.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 111.093 -179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -113.42 156.28 23.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.585 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.5 t -62.07 -17.11 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.5 t -90.41 -24.78 20.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -31.57 72.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.588 ' HA ' HG12 ' A' ' 57' ' ' VAL . 5.2 m-85 -75.62 -18.87 59.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.18 -3.88 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -117.23 -7.7 11.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.0 p -104.53 -23.34 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 54' ' ' PHE . 56.7 t -89.95 -21.7 6.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.42 -28.79 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.31 -9.65 47.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -95.89 1.57 53.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.081 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.6 m -110.13 -19.73 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.877 HG13 HD11 ' A' ' 80' ' ' LEU . 46.7 t -74.73 1.4 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.65 -18.71 13.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -112.7 -24.91 9.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD21 ' HB3' ' A' ' 36' ' ' LEU . 3.5 mm? -107.09 34.28 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.721 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -125.61 37.11 0.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.622 0.725 . . . . 0.0 110.94 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.74 -48.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.322 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 72' ' ' LEU . 6.3 m -148.34 70.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.8 p -55.53 -29.8 59.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -17.07 58.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 HG21 ' A' ' 69' ' ' VAL . 38.6 mt -101.55 -36.12 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mt -65.96 -40.2 91.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.9 m -53.99 -33.89 58.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.49 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -93.73 17.91 11.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.56 33.7 55.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.485 HG23 ' CZ2' ' A' ' 83' ' ' TRP . 4.3 mt -137.68 111.8 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.33 129.73 45.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.877 HD11 HG13 ' A' ' 63' ' ' VAL . 1.4 tm? -82.91 -27.0 30.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -23.26 45.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 85' ' ' VAL . 8.8 pt-20 -88.14 -30.18 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CZ2' HG23 ' A' ' 78' ' ' ILE . 18.8 m0 -58.82 -25.74 63.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 p -87.38 -24.47 24.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 82' ' ' GLU . 32.2 m -116.17 39.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.5 179.52 3.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -105.34 96.79 6.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -90.97 109.77 21.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -91.92 161.61 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' A' ' 103' ' ' MET . 1.3 mp -140.25 136.37 33.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -123.2 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -112.74 -167.29 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -81.27 0.16 38.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -122.12 1.13 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.4 32.92 18.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -121.23 148.53 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.585 ' HG2' HG11 ' A' ' 51' ' ' VAL . 2.9 tt0 -80.96 74.94 7.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -122.54 -177.23 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -118.94 60.02 0.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 53.6 p -79.83 175.17 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.68 -39.06 57.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -126.24 116.79 21.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.69 ' CE ' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -130.17 129.24 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.908 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -79.74 128.94 34.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.3 t -99.66 104.66 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.75 167.43 9.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.96 -42.64 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -66.95 154.39 92.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.713 0.768 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 167.81 23.27 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -49.69 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.389 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.08 -33.92 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.582 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.569 0.699 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.582 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.9 Cg_endo -69.8 72.52 1.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.607 HG21 ' O ' ' A' ' 7' ' ' THR . 30.7 mt -86.24 157.04 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.56 -172.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.33 -78.94 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.451 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -115.55 86.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.607 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -157.3 147.39 20.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -174.52 130.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.16 59.07 8.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' HB2' HG11 ' A' ' 16' ' ' VAL . 4.0 mm-40 -98.73 -37.84 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -170.95 -65.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.584 ' O ' HG12 ' A' ' 16' ' ' VAL . 15.0 t -165.62 174.16 10.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.1 t -83.26 163.46 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 38.2 m95 61.42 17.9 8.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -138.87 -39.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 12' ' ' THR . 9.7 p -124.28 -30.78 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -50.71 -45.67 58.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.47 35.62 11.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -153.74 161.23 42.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.92 0.391 . . . . 0.0 110.949 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -136.51 -176.04 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -135.86 105.49 6.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 103' ' ' MET . 4.9 p -112.58 133.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -100.41 166.78 10.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.624 HG23 ' O ' ' A' ' 103' ' ' MET . 5.0 mt -143.51 141.74 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 25' ' ' THR . 5.9 t -178.99 93.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -121.83 -74.95 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.627 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER 174.5 114.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 27' ' ' GLU . 5.6 mp -130.11 -58.19 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.83 -179.29 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.13 -33.21 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -103.37 -34.95 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.0 m -116.67 40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -87.99 -34.02 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -65.77 -18.54 65.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.601 HG13 ' HD2' ' A' ' 39' ' ' LYS . 91.9 t -62.85 -21.03 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.136 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.1 pp -120.79 7.59 10.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -122.27 -13.06 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.96 -57.57 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' HD2' HG13 ' A' ' 35' ' ' VAL . 0.6 OUTLIER -90.85 16.43 9.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -179.55 57.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -31.04 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -99.15 143.5 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.67 168.97 18.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.47 144.1 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.16 122.07 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.26 -169.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -91.32 -0.0 57.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.77 69.36 0.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.537 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.464 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -135.15 148.35 49.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.137 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -102.04 168.83 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.3 t -70.11 -15.15 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -91.09 -26.94 18.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -64.07 -34.51 78.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.645 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.1 m-85 -69.02 -23.51 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.59 -6.81 46.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.13 -14.05 13.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.645 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.9 p -103.78 -22.19 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 54' ' ' PHE . 44.7 t -94.72 -16.25 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -104.68 0.2 28.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -112.42 -33.39 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.79 -42.92 26.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' O ' HD12 ' A' ' 66' ' ' LEU . 15.5 m -53.27 -43.23 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.789 HG13 HD11 ' A' ' 80' ' ' LEU . 76.6 t -56.06 -47.8 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -50.95 -57.02 9.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.595 HG21 ' HG3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -65.12 -28.43 69.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD22 ' CZ3' ' A' ' 83' ' ' TRP . 0.4 OUTLIER -98.39 47.49 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.728 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.6 mm100 -126.82 36.44 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.728 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.5 Cg_endo -69.74 -49.63 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.679 HG21 HD12 ' A' ' 72' ' ' LEU . 3.2 m -154.87 65.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -25.13 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -57.97 -22.69 50.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.679 HD12 HG21 ' A' ' 69' ' ' VAL . 85.1 mt -87.86 -46.71 9.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.582 HD23 ' CE ' ' A' ' 76' ' ' MET . 12.7 mt -51.82 -46.03 64.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.83 -30.28 44.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -20.27 23.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.582 ' CE ' HD23 ' A' ' 73' ' ' LEU . 77.1 mtm -94.01 19.59 8.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.68 37.53 84.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.0 mt -142.97 110.8 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 129.34 34.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.789 HD11 HG13 ' A' ' 63' ' ' VAL . 1.7 tm? -89.69 -31.8 17.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.62 -22.14 61.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.443 ' HA ' HG12 ' A' ' 85' ' ' VAL . 8.2 pt-20 -78.51 -30.75 47.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.699 ' CZ3' HD22 ' A' ' 66' ' ' LEU . 19.9 m0 -50.24 -52.6 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.21 -43.44 87.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.6 p -97.63 35.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.51 -173.81 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.9 m -110.71 100.92 9.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.57 126.37 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -109.27 137.9 46.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.464 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.9 mm? -99.23 147.84 24.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -156.25 -178.71 7.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -146.59 -175.31 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -73.45 -6.41 46.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -96.2 4.24 52.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 67.12 34.61 86.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -139.28 157.83 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HG2' HG11 ' A' ' 51' ' ' VAL . 3.1 tt0 -91.18 80.59 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -127.47 -179.72 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -114.67 59.96 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.31 -168.73 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.61 14.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -136.49 133.59 36.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.624 ' O ' HG23 ' A' ' 24' ' ' ILE . 12.2 ttp -128.89 106.92 9.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.44 161.23 26.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 p -113.6 94.63 4.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.38 145.52 28.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -86.22 -2.66 58.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.427 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.2 p90 -112.98 154.93 44.85 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.735 0.778 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.76 167.88 23.16 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -49.52 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.17 -33.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.592 0.71 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 70.4 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.354 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.716 HG21 ' O ' ' A' ' 7' ' ' THR . 18.3 mt -90.22 160.15 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.121 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.42 -167.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 92.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t 52.99 91.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 111.134 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.716 ' O ' HG21 ' A' ' 3' ' ' ILE . 33.0 m -162.67 153.11 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -163.0 127.56 3.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.88 72.82 0.44 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' HB2' HG11 ' A' ' 16' ' ' VAL . 18.2 mm-40 -110.0 -27.59 9.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -171.42 -63.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -175.93 179.23 1.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.0 t -85.38 163.28 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 42.1 m95 61.47 17.45 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -142.73 -37.38 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' A' ' 10' ' ' GLU . 2.1 t -121.53 -34.71 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -50.94 -42.55 59.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.88 35.8 17.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -156.09 177.64 11.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.933 0.397 . . . . 0.0 110.948 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -145.43 -175.97 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -145.07 107.54 4.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.59 141.3 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -127.09 149.04 50.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.3 mm -105.91 127.03 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.5 m -161.38 81.61 0.61 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -121.11 -76.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.597 ' O ' HD12 ' A' ' 28' ' ' LEU . 8.3 pt-20 -176.67 137.32 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -157.67 -56.9 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.95 171.76 10.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.37 -28.37 6.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -101.55 -41.23 6.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.497 ' O ' HD21 ' A' ' 66' ' ' LEU . 27.4 m -110.76 39.75 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -83.5 -45.74 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 -24.01 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.17 -18.22 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.2 pp -118.6 8.28 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -117.73 -20.8 8.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.32 -33.32 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -34.79 77.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.1 86.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.82 -18.04 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -106.35 142.01 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.15 168.83 23.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.28 135.18 40.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -112.88 121.44 65.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -174.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 t -86.63 -0.01 55.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.65 67.23 0.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.792 0.33 . . . . 0.0 111.118 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -99.87 170.06 8.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.657 HG11 ' HG2' ' A' ' 97' ' ' GLU . 6.3 t -67.73 -13.85 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.1 t -92.88 -28.41 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.471 ' HB3' HG22 ' A' ' 49' ' ' THR . 5.8 tt0 -60.24 -34.99 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' HA ' HG12 ' A' ' 57' ' ' VAL . 11.4 m-85 -68.98 -27.35 65.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.29 57.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -106.51 -17.22 14.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.647 HG12 ' HA ' ' A' ' 54' ' ' PHE . 4.5 p -100.33 -17.86 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.4 t -89.19 -24.79 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.28 -17.68 30.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -101.24 0.52 37.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -118.01 1.15 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 58' ' ' VAL . 17.6 m -109.63 -39.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 80' ' ' LEU . 85.5 t -68.26 -67.19 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -27.8 15.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.444 HG22 HD12 ' A' ' 66' ' ' LEU . 95.1 m -77.83 -33.93 52.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.132 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD21 ' O ' ' A' ' 32' ' ' VAL . 8.7 mp -110.81 65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.703 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 4.9 mm-40 -126.75 36.84 0.35 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.559 0.695 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.703 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.3 Cg_endo -69.72 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 m -152.49 67.31 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.94 -22.2 59.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -57.09 -23.49 47.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.8 mt -96.86 -46.46 6.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.508 HD23 HG21 ' A' ' 78' ' ' ILE . 7.0 mp -55.5 -33.81 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.484 HG23 ' OD1' ' A' ' 79' ' ' ASP . 47.9 m -63.13 -20.54 65.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -103.99 -15.84 15.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.6 mtm -91.62 16.09 11.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.04 -12.9 64.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.508 HG21 HD23 ' A' ' 73' ' ' LEU . 2.7 mp -96.09 83.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.362 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 74' ' ' THR . 5.0 t0 -85.74 98.66 10.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' CD2' HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -48.85 -34.24 12.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -28.49 23.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.426 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.2 pt-20 -89.56 -30.78 17.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -52.69 -40.51 63.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.51 -42.18 75.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -99.94 35.54 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -100.61 -176.36 3.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.3 m -125.55 98.52 5.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.53 94.99 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -79.4 122.98 27.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' N ' HD22 ' A' ' 90' ' ' LEU . 3.1 mm? -80.51 142.5 34.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -150.13 -178.38 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -140.48 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.87 -18.67 64.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.05 -2.03 53.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.13 37.01 19.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -130.68 141.69 50.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.657 ' HG2' HG11 ' A' ' 51' ' ' VAL . 5.2 tt0 -82.08 76.27 8.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -124.3 -177.09 3.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -116.37 60.36 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 t -79.19 -165.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.45 -34.13 6.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.873 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -134.72 -174.44 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 19.1 mtm -163.3 147.76 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -114.14 141.65 47.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.7 p -109.81 100.72 9.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.89 139.05 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -71.14 -10.33 59.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.425 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.3 p90 -112.34 154.92 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.665 0.745 . . . . 0.0 110.929 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.3 Cg_endo -69.72 167.59 23.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.729 2.286 . . . . 0.0 112.358 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -48.46 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.346 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.83 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.59 0.709 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.732 ' HG3' HG21 ' A' ' 44' ' ' THR . 54.3 Cg_endo -69.76 -37.05 9.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.667 2.245 . . . . 0.0 112.344 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 25.9 mt 64.7 154.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.27 -161.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.93 -85.79 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.448 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.407 ' O ' HG13 ' A' ' 6' ' ' VAL . 2.3 p -127.84 93.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.924 0.392 . . . . 0.0 111.119 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -163.74 173.4 12.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.451 ' H ' HG22 ' A' ' 7' ' ' THR . 4.1 p90 -149.93 -173.43 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.59 101.71 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -117.68 -28.05 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.886 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -141.87 -56.75 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.733 ' O ' HG12 ' A' ' 16' ' ' VAL . 2.3 t 179.3 159.23 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.69 162.0 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 9.5 m95 62.18 17.06 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' ' 12' ' ' THR . 4.0 mm-40 -141.37 -50.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.733 HG12 ' O ' ' A' ' 12' ' ' THR . 7.1 p -98.47 -26.02 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -62.21 -30.08 70.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.44 38.65 69.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.526 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -154.7 177.91 10.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.984 0.421 . . . . 0.0 110.928 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.82 -175.63 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -131.83 125.77 32.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG11 ' HE2' ' A' ' 103' ' ' MET . 96.2 t -134.33 122.66 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 138.71 42.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG23 ' O ' ' A' ' 103' ' ' MET . 22.9 mm -106.49 125.39 62.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.7 m -152.95 76.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -120.37 -76.83 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.35 143.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD22 HD13 ' A' ' 36' ' ' LEU . 1.5 tp -150.83 -55.93 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.84 -179.19 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.1 -33.2 3.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -103.87 -18.89 14.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.632 ' CG2' HD21 ' A' ' 66' ' ' LEU . 5.9 m -134.42 49.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -52.52 7.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -22.51 15.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' HG12 ' A' ' 35' ' ' VAL . 62.0 t -65.73 -14.45 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD13 HD22 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -120.25 1.74 10.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -13.78 8.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -120.48 -32.72 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -69.04 -41.48 77.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.7 p 179.67 88.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.79 -7.1 15.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.1 p -93.06 142.72 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -143.22 159.71 41.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.732 HG21 ' HG3' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -101.75 138.0 39.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 54' ' ' PHE . 93.6 t -118.69 121.95 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -58.05 -177.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -75.51 -39.16 58.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -122.03 82.61 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -129.15 164.64 22.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.507 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.2 OUTLIER -108.77 155.68 20.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.4 t -65.42 -16.71 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.4 t -90.23 -20.99 22.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.37 71.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.71 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.7 m-85 -75.02 -16.75 60.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.06 -6.94 48.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -111.97 -15.37 13.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.71 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.4 p -105.48 -29.11 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.105 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 62' ' ' VAL . 96.3 t -83.39 -21.59 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -86.4 -4.81 59.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.27 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.4 -45.37 62.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 66' ' ' LEU . 16.5 m -55.66 -24.8 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 59' ' ' ALA . 54.2 t -84.74 -61.59 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -20.11 42.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -92.87 0.45 57.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.65 HD22 ' CH2' ' A' ' 83' ' ' TRP . 0.1 OUTLIER -133.72 55.16 1.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.716 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 8.6 mt-30 -125.57 37.06 0.35 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.635 0.731 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.716 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.9 Cg_endo -69.71 -43.7 2.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.753 2.302 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 ' HB ' HD23 ' A' ' 72' ' ' LEU . 3.8 m -153.78 59.97 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 p -69.32 -10.93 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -65.1 -15.26 62.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.502 HD12 ' HE2' ' A' ' 76' ' ' MET . 2.7 pp -101.56 -37.81 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 72' ' ' LEU . 54.8 mt -56.39 -33.87 66.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.1 -17.11 60.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -20.36 45.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.502 ' HE2' HD12 ' A' ' 72' ' ' LEU . 3.9 ptp -102.57 -26.1 13.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.92 -33.83 2.34 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.537 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 63.3 mt -58.95 124.35 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.06 141.42 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 67' ' ' GLN . 0.3 OUTLIER -91.25 -35.33 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -15.97 60.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.434 ' HA ' HG12 ' A' ' 85' ' ' VAL . 6.7 pt-20 -89.88 -30.14 18.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.65 ' CH2' HD22 ' A' ' 66' ' ' LEU . 25.0 m0 -50.56 -43.98 56.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -44.6 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.582 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.8 p -97.48 35.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -101.26 179.58 4.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.4 m -100.66 91.02 4.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -90.15 115.01 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -99.42 121.86 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD12 ' SD ' ' A' ' 103' ' ' MET . 3.7 mm? -85.02 148.81 25.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -151.99 166.64 30.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.39 -168.39 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -81.83 -0.23 42.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.85 4.01 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 75.7 39.75 33.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -141.76 159.93 41.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -79.88 84.92 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -123.71 168.51 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -117.71 56.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 1.5 p -79.05 -168.25 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.8 p -49.34 -31.06 8.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -134.07 159.68 40.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.777 ' HE2' HG11 ' A' ' 22' ' ' VAL . 5.3 mtm -146.0 120.32 9.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -79.75 126.88 31.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.82 103.8 13.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.76 158.87 16.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -87.71 -6.45 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.422 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.6 p90 -111.76 155.01 43.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.706 0.765 . . . . 0.0 110.91 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.71 167.53 24.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.375 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -55.6 0.17 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.61 -56.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 54.0 Cg_endo -69.74 77.58 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.254 . . . . 0.0 112.373 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -94.77 142.61 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.02 -156.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -112.66 -21.27 6.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.499 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 6' ' ' VAL . 3.4 t -146.48 21.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -151.07 137.4 18.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 19.8 p90 -157.54 128.0 6.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.72 54.72 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -107.97 -43.34 4.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.0 -66.72 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -175.74 174.26 2.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.31 164.32 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 36.1 m95 61.87 17.38 8.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -137.83 -37.82 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.3 -35.06 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -49.65 -43.76 47.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.48 36.67 16.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.534 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -149.23 162.88 39.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.983 0.42 . . . . 0.0 110.915 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.814 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -139.52 -178.62 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -131.02 126.85 37.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -130.39 133.76 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.08 158.09 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.583 HD13 ' HB3' ' A' ' 103' ' ' MET . 39.0 mm -125.22 129.04 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.6 m -161.33 80.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -120.2 -76.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.12 105.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 HD21 ' SG ' ' A' ' 105' ' ' CYS . 3.3 mm? -111.88 -57.59 2.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.45 -179.31 4.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -116.73 -27.21 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.57 ' HD2' HG13 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -107.01 -40.48 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.821 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG13 ' HD2' ' A' ' 31' ' ' ARG . 28.6 m -113.32 48.63 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -85.58 -40.23 16.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.593 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.86 -20.69 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.593 HG23 ' HD3' ' A' ' 34' ' ' LYS . 30.3 t -65.11 -14.46 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -116.33 -1.34 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.82 -19.52 13.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -113.95 -30.35 6.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -79.06 -28.12 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.94 89.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.04 -7.94 11.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.89 141.7 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -146.04 161.15 40.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.57 147.94 22.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.2 p -141.74 108.04 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.62 178.68 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -87.1 0.12 55.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -117.69 -15.06 6.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.488 HG22 ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -51.31 144.43 9.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.754 0.312 . . . . 0.0 111.112 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -101.29 168.57 9.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.496 HG11 ' HG2' ' A' ' 97' ' ' GLU . 4.9 t -69.08 -14.74 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.11 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.0 t -91.5 -26.67 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.0 OUTLIER -63.22 -34.79 78.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.586 ' HA ' HG12 ' A' ' 57' ' ' VAL . 8.8 m-85 -69.93 -22.9 63.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.8 -2.66 37.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.11 -1.94 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.8 p -111.13 -21.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 62' ' ' VAL . 53.2 t -95.12 -45.98 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.79 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -96.07 -53.05 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.87 -33.18 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.4 m -66.4 -39.15 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.627 HG13 HD23 ' A' ' 80' ' ' LEU . 75.2 t -50.9 -69.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -49.88 56.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . 34.4 m -54.42 -32.12 56.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 36' ' ' LEU . 10.9 mt -115.71 61.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.729 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.0 mt-30 -127.26 36.08 0.32 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.77 -49.92 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' HB ' HD23 ' A' ' 72' ' ' LEU . 2.4 m -156.0 66.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.529 ' HA ' HD13 ' A' ' 73' ' ' LEU . 73.5 m -73.79 -7.52 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -69.88 -18.99 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.604 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.6 pp -96.18 -38.64 10.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.969 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD12 ' HG ' ' A' ' 72' ' ' LEU . 9.8 mp -53.15 -42.6 66.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.502 HG23 ' CG ' ' A' ' 79' ' ' ASP . 0.2 OUTLIER -59.23 -20.66 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -30.17 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.54 ' SD ' HD12 ' A' ' 78' ' ' ILE . 5.4 ptp -91.36 -13.2 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 130.36 -46.21 1.09 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.54 HD12 ' SD ' ' A' ' 76' ' ' MET . 49.1 mt -59.04 125.35 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.157 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' CG ' HG23 ' A' ' 74' ' ' THR . 11.2 t0 -128.35 106.45 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.627 HD23 HG13 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -49.48 -31.08 9.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -25.19 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -88.52 -31.9 18.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.468 ' HZ3' HD12 ' A' ' 66' ' ' LEU . 24.2 m0 -53.87 -29.57 41.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.42 -25.84 30.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 32.8 m -118.53 39.63 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.81 178.51 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -104.38 116.08 31.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.485 ' CE2' HD11 ' A' ' 28' ' ' LEU . 4.2 m-85 -113.7 125.73 54.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.405 ' O ' HD23 ' A' ' 90' ' ' LEU . 98.1 m-85 -111.24 -174.47 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.619 HD23 ' HA ' ' A' ' 105' ' ' CYS . 96.1 mt -151.21 156.01 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -158.08 174.12 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.42 -166.98 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.89 0.4 55.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.713 ' HB3' ' OE2' ' A' ' 96' ' ' GLU . . . -113.99 -25.74 8.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.69 30.1 2.09 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.713 ' OE2' ' HB3' ' A' ' 94' ' ' ALA . 1.0 OUTLIER -125.79 144.61 50.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.792 0.33 . . . . 0.0 110.898 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.9 tt0 -91.49 79.02 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 29.6 p30 -122.11 -169.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -117.81 54.78 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 t -79.91 179.58 7.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.59 -44.52 62.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.95 126.31 50.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.583 ' HB3' HD13 ' A' ' 24' ' ' ILE . 31.6 ttm -125.58 129.88 50.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -107.99 117.47 34.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.619 ' HA ' HD23 ' A' ' 90' ' ' LEU . 26.8 t -80.95 93.9 6.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.4 p -90.17 137.31 32.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -85.41 -4.34 59.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.416 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.6 p90 -113.99 154.99 45.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.692 0.758 . . . . 0.0 110.927 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.71 167.49 24.22 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.708 2.272 . . . . 0.0 112.358 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.23 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.396 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 -34.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.591 0.71 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 72.87 1.44 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.649 HG21 ' O ' ' A' ' 7' ' ' THR . 30.3 mt -87.14 157.18 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.443 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.35 -172.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.45 96.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.1 t 51.37 88.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.649 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -158.51 157.98 33.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -174.77 134.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.73 63.23 4.9 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' HB3' HG21 ' A' ' 16' ' ' VAL . 27.2 mm-40 -102.35 -38.93 7.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.846 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -161.0 -61.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.631 HG23 ' HB2' ' A' ' 15' ' ' GLU . 2.9 t -179.34 133.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' A' ' 14' ' ' TRP . 1.6 p -51.18 156.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 4.9 m95 67.61 10.51 7.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.7 OUTLIER -138.98 -37.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' HB3' ' A' ' 10' ' ' GLU . 8.8 p -120.19 -27.32 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -51.16 -35.85 38.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 82.42 35.8 19.06 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -157.87 163.99 37.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.014 0.435 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -140.93 -174.73 4.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -144.17 115.24 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.9 p -128.99 137.78 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -105.33 163.96 12.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -136.7 132.54 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -161.84 86.59 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -120.36 -76.52 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.415 ' O ' HD12 ' A' ' 28' ' ' LEU . 30.5 tt0 -179.68 124.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -139.24 -55.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' HG22 ' A' ' 32' ' ' VAL . 4.1 t70 -134.37 172.29 13.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.62 -27.92 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -99.21 -24.5 14.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG22 ' OD2' ' A' ' 29' ' ' ASP . 28.6 m -132.53 46.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.98 -50.09 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -16.29 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.2 t -63.36 -21.47 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.785 ' HB3' HD11 ' A' ' 66' ' ' LEU . 1.2 pp -120.87 5.99 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -120.17 -15.1 8.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -120.48 -32.54 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -89.62 -10.12 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.63 ' SG ' HG21 ' A' ' 65' ' ' THR . 4.8 p 179.41 84.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.31 -22.44 9.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.495 HG22 ' NE ' ' A' ' 23' ' ' ARG . 99.0 t -87.1 138.96 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.449 ' CZ ' HG13 ' A' ' 58' ' ' VAL . 33.0 m-85 -135.61 137.8 42.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 126.39 41.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.177 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 HG13 ' HE1' ' A' ' 54' ' ' PHE . 81.3 t -112.36 110.88 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 176.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 t -68.95 -39.24 79.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.54 87.45 0.46 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.86 150.54 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.757 0.313 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -107.03 157.28 17.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.64 HG11 ' HG2' ' A' ' 97' ' ' GLU . 14.7 t -62.66 -16.33 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.6 t -92.07 -23.44 19.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.629 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -63.87 -35.47 80.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HE1' HG13 ' A' ' 45' ' ' VAL . 11.1 m-85 -71.16 -24.69 62.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.6 -23.06 67.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 12.39 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 53' ' ' GLU . 92.8 t -120.11 -31.75 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 43' ' ' TYR . 11.5 t -94.01 -5.44 10.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -98.88 -23.1 15.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.41 -30.79 13.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.06 0.33 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.628 ' O ' HD12 ' A' ' 66' ' ' LEU . 6.4 m -105.8 -34.28 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 59' ' ' ALA . 96.7 t -58.01 -65.61 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -51.6 -37.71 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.63 HG21 ' SG ' ' A' ' 40' ' ' CYS . 33.8 m -70.03 -31.41 69.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -109.54 49.84 0.81 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.722 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.2 mt-30 -127.04 36.3 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.636 0.732 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.722 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.4 Cg_endo -69.83 -48.54 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.698 2.265 . . . . 0.0 112.289 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 m -154.56 60.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 p -66.4 -13.62 60.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -61.59 -17.77 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.565 ' CD1' HD23 ' A' ' 73' ' ' LEU . 2.8 pp -95.91 -36.01 11.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 72' ' ' LEU . 24.4 mt -61.26 -32.01 71.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -18.18 63.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -74.33 -24.33 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ptp -102.3 -24.63 13.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.76 -34.38 2.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.78 109.39 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 111.103 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 132.92 38.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -90.94 -33.15 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -21.7 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -78.65 -30.61 46.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.49 ' HZ3' HD13 ' A' ' 66' ' ' LEU . 34.9 m0 -53.01 -39.97 63.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -71.68 -31.55 66.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.0 m -111.28 39.46 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.38 -174.56 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 m -110.61 100.91 9.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -97.97 110.06 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -94.81 135.41 36.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.457 ' N ' HD22 ' A' ' 90' ' ' LEU . 2.4 mm? -96.26 139.18 32.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -148.53 -178.49 6.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -145.54 -174.87 4.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -73.26 -6.42 45.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -95.1 1.52 54.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.79 29.75 69.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -133.09 157.48 45.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.64 ' HG2' HG11 ' A' ' 51' ' ' VAL . 8.3 tt0 -90.72 77.69 6.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -121.62 -176.21 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.505 ' HD1' HG22 ' A' ' 51' ' ' VAL . 7.9 p90 -120.14 60.51 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.1 t -79.42 -174.92 4.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.95 -29.32 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 129.37 36.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.3 ptm -129.07 125.43 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -82.59 163.68 21.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 5.4 p -120.13 92.07 3.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.99 139.28 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -78.9 -36.44 42.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -71.43 154.46 93.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.699 0.761 . . . . 0.0 110.906 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 167.55 24.09 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.69 2.26 . . . . 0.0 112.331 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -55.68 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.49 -56.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.566 0.698 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.4 Cg_endo -69.8 73.52 1.38 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.714 HG21 ' O ' ' A' ' 7' ' ' THR . 36.6 mt -85.65 144.64 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -86.46 143.32 27.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 65.91 -89.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.427 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -168.24 27.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.714 ' O ' HG21 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -72.84 167.22 21.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -174.39 133.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.78 77.92 0.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -109.86 -56.25 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.84 -46.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.627 HG23 ' HB2' ' A' ' 15' ' ' GLU . 9.4 t -169.91 164.28 9.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.078 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 14' ' ' TRP . 2.2 t -89.84 163.8 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' H ' HG12 ' A' ' 13' ' ' VAL . 8.0 m95 62.91 16.6 9.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.627 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mm-40 -135.21 -41.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -107.42 -35.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -51.87 -29.87 21.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 68.62 39.91 86.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -153.73 173.81 15.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.93 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.46 -175.53 5.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -142.84 107.71 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 103' ' ' MET . 9.6 p -118.86 153.0 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.05 156.58 41.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG21 ' SG ' ' A' ' 105' ' ' CYS . 16.3 mm -111.34 140.33 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 24.3 m -160.88 64.23 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -120.73 -71.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.606 ' O ' HD12 ' A' ' 28' ' ' LEU . 1.9 pt-20 -179.08 159.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.681 HD22 HD13 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -172.0 -48.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -137.42 -174.42 3.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -120.34 -33.41 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.1 -31.88 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -113.85 39.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -69.81 -48.4 59.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.51 -13.84 61.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 HG23 ' HD3' ' A' ' 34' ' ' LYS . 86.8 t -71.25 -20.14 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD13 HD22 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -120.5 3.62 10.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -119.57 -24.12 6.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -120.1 -32.27 4.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -28.85 52.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.8 t -176.98 86.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.16 -10.5 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.2 p -88.58 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -144.23 150.48 38.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.65 142.62 28.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG22 ' CE1' ' A' ' 54' ' ' PHE . 75.8 t -126.87 113.24 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.38 174.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.95 0.03 57.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.55 63.31 0.42 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.478 HG21 ' CE1' ' A' ' 54' ' ' PHE . 2.3 t -122.87 -171.69 2.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 111.163 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.4 OUTLIER -130.06 158.72 38.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 HG21 ' O ' ' A' ' 97' ' ' GLU . 21.1 t -59.23 -20.53 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 50' ' ' GLU . 3.9 t -84.34 -25.82 28.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -36.88 79.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' HA ' HG12 ' A' ' 57' ' ' VAL . 13.6 m-85 -69.49 -18.4 63.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.07 -6.0 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.98 -11.6 13.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 54' ' ' PHE . 9.5 p -105.9 -27.92 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 58' ' ' VAL . 29.3 t -91.08 -7.87 10.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -110.92 0.02 16.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -118.27 -8.38 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' A' ' 64' ' ' LYS . . . -105.61 2.11 27.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.073 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -115.01 -19.38 6.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.144 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.598 HG13 HD12 ' A' ' 80' ' ' LEU . 21.4 t -71.41 1.79 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -121.96 -7.02 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -121.11 -10.5 9.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' C ' ' CD ' ' A' ' 68' ' ' PRO . 4.0 mm? -107.49 15.74 24.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.713 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -126.39 36.81 0.35 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.713 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 53.8 Cg_endo -69.74 -25.22 28.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.358 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.0 m -153.89 53.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.9 m -58.62 -17.75 24.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -57.32 -20.76 30.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.805 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.4 pp -103.18 -36.73 8.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.805 HD12 ' HG ' ' A' ' 72' ' ' LEU . 6.7 mp -65.67 -38.55 89.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -69.14 -16.95 63.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.82 -27.33 18.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.404 ' HG2' ' HA ' ' A' ' 73' ' ' LEU . 13.5 ptp -86.16 -28.46 23.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.49 -23.2 2.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.507 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 65.7 mt -80.01 111.4 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 82' ' ' GLU . 12.9 t0 -111.82 101.7 10.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.598 HD12 HG13 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -49.27 -30.79 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.67 -28.38 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.452 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.8 pt-20 -88.37 -33.05 18.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.526 ' HB2' HD13 ' A' ' 80' ' ' LEU . 9.4 m0 -51.67 -42.54 62.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.945 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.05 -40.8 87.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.589 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.5 p -100.62 34.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -107.0 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -113.66 100.25 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -88.35 125.54 34.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -110.17 174.07 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -141.49 163.45 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -162.47 164.76 26.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.92 -175.21 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.68 -11.12 60.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.28 4.47 39.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.44 33.88 63.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -133.58 158.95 41.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.936 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.481 ' O ' HG21 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -81.81 86.25 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -128.04 169.79 13.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -120.01 59.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -79.68 -168.97 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.53 -44.55 56.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.5 ttm180 -110.3 148.3 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.513 ' HG3' HG21 ' A' ' 22' ' ' VAL . 4.7 mtt -132.42 147.09 52.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -119.51 133.01 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' A' ' 24' ' ' ILE . 1.2 m -99.85 102.29 13.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.6 p -100.24 118.14 35.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -65.19 -16.51 63.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.413 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 32.1 p90 -105.8 154.9 39.04 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.1 Cg_endo -69.79 167.77 23.53 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -44.04 2.35 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 0.0 112.323 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -179.97 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.584 0.707 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -32.98 17.47 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 mt 64.64 152.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -57.21 133.11 54.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.11 38.88 8.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.499 ' O ' HG12 ' A' ' 6' ' ' VAL . 9.6 t 44.65 36.28 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 8' ' ' PHE . 7.0 m -84.21 157.29 21.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.4 ' N ' HG22 ' A' ' 7' ' ' THR . 42.6 p90 -158.38 131.18 7.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.4 59.83 1.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -110.21 -54.32 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -164.41 -64.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.586 ' O ' HG12 ' A' ' 16' ' ' VAL . 12.9 t -164.72 170.35 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -86.11 163.05 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 37.9 m95 61.69 17.72 8.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.524 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.8 OUTLIER -137.62 -39.1 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 12' ' ' THR . 12.2 p -125.02 -31.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -50.77 -45.53 59.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.1 35.67 12.14 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.484 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -147.31 176.64 9.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.979 0.418 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 44' ' ' THR . 0.8 OUTLIER -151.65 -176.87 5.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -140.39 114.16 8.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.0 p -129.32 152.35 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.96 155.43 43.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 103' ' ' MET . 2.7 mp -133.81 131.65 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -161.41 82.18 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -120.34 -75.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 178.97 131.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.24 -55.36 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.567 ' OD2' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -126.69 177.96 6.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.29 -16.86 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.434 HH12 HD21 ' A' ' 72' ' ' LEU . 2.1 ptm180 -120.83 3.12 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 32' ' ' VAL . 3.1 p -162.33 38.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.22 -39.54 16.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.667 ' HD3' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -66.13 -16.13 63.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.667 HG23 ' HD3' ' A' ' 34' ' ' LYS . 19.9 t -77.08 -12.62 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.119 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -120.68 3.68 10.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -120.5 -18.22 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -112.45 -28.79 7.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.84 -7.59 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.6 p 179.77 85.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 p -116.27 -18.05 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -105.26 139.9 24.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -139.38 153.77 47.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 20' ' ' LYS . 2.1 m -99.95 136.5 39.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.156 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.2 t -116.66 121.08 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -54.32 176.12 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -26.45 64.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.832 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -125.13 83.81 0.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.449 HG21 ' CE1' ' A' ' 54' ' ' PHE . 0.2 OUTLIER -132.1 156.02 47.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.113 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.439 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -114.67 152.27 32.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 99' ' ' PHE . 15.6 t -62.05 -17.08 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.439 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.0 t -93.28 -17.88 23.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.25 -35.2 77.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE1' HG21 ' A' ' 49' ' ' THR . 8.7 m-85 -72.98 -21.85 60.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.27 -23.27 47.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 12.49 19.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.0 t -120.24 -31.81 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.426 ' O ' HG12 ' A' ' 58' ' ' VAL . 10.6 t -93.15 -4.22 10.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.81 -6.87 38.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -112.9 -49.33 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.41 -41.28 69.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG13 ' HB2' ' A' ' 36' ' ' LEU . 93.8 t -60.81 -45.31 98.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.75 HG13 HD22 ' A' ' 80' ' ' LEU . 84.0 t -55.16 -42.36 65.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -48.92 -68.5 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -20.51 55.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.67 ' O ' HD11 ' A' ' 80' ' ' LEU . 10.5 mp -109.3 51.41 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.726 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 1.1 mm-40 -126.95 36.21 0.33 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.726 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.0 Cg_endo -69.76 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.316 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HB ' HD23 ' A' ' 72' ' ' LEU . 1.1 m -158.1 70.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.698 ' CB ' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -76.23 -5.7 48.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -73.06 -14.56 61.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.743 ' HG ' HD12 ' A' ' 73' ' ' LEU . 2.5 pp -99.92 -38.47 8.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.743 HD12 ' HG ' ' A' ' 72' ' ' LEU . 8.3 mp -57.23 -42.87 82.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -59.74 -21.35 60.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -79.24 -32.29 43.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE3' ' HG ' ' A' ' 73' ' ' LEU . 5.7 ptp -87.88 -22.58 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.42 -42.29 1.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.404 HG21 HD23 ' A' ' 73' ' ' LEU . 83.7 mt -63.13 118.92 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.878 0.371 . . . . 0.0 111.115 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.37 135.7 49.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.75 HD22 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -90.7 -33.9 15.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -20.0 66.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -83.33 -30.66 27.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -51.61 -43.19 62.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -35.87 78.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 34.2 m -106.31 38.96 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -113.99 -176.0 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.2 m -113.97 98.18 6.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -90.43 118.33 29.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -102.09 125.43 48.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.458 ' N ' HD22 ' A' ' 90' ' ' LEU . 1.5 mm? -100.9 90.1 4.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -79.99 -179.63 7.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.48 -167.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -86.69 0.1 55.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.42 -3.55 12.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 88.81 35.61 8.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.35 156.73 47.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -90.86 69.57 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -119.98 131.4 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.604 ' CG ' ' O ' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.11 57.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.4 t -77.95 -169.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.9 m -50.57 -31.61 16.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -133.22 130.54 39.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.0 ptt? -132.84 116.5 16.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -79.75 136.69 36.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.944 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.506 ' SG ' HG21 ' A' ' 24' ' ' ILE . 0.5 OUTLIER -93.54 89.0 6.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.31 127.53 35.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -72.24 -10.3 59.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 30.9 p90 -113.04 154.94 44.91 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.685 0.755 . . . . 0.0 110.91 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 53.6 Cg_endo -69.77 167.57 24.08 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -48.3 0.75 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 0.0 112.399 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.79 -34.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.56 0.695 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 53.8 Cg_endo -69.74 73.73 1.34 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 4' ' ' LYS . 30.6 mt -87.53 157.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -58.29 -172.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.71 95.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.4 t 53.8 91.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.937 0.399 . . . . 0.0 111.149 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.572 HG21 ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -160.22 163.66 33.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -174.55 145.42 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 74.59 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.687 ' HB3' HG21 ' A' ' 16' ' ' VAL . 8.9 mt-10 -113.56 -43.08 3.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -170.7 -66.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.721 ' O ' HG12 ' A' ' 16' ' ' VAL . 8.7 t -164.58 160.49 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -78.1 162.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 13.6 m95 62.39 17.12 9.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.5 OUTLIER -142.95 -46.25 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 12' ' ' THR . 8.6 p -102.89 -27.93 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.32 40.43 55.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.466 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -155.0 170.94 20.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.389 . . . . 0.0 110.969 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HB2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -151.14 163.6 38.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -117.15 128.16 54.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.0 p -143.58 125.3 11.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.616 ' NE ' HG22 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -100.44 161.81 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.593 HD13 ' C ' ' A' ' 23' ' ' ARG . 3.6 mm -121.27 139.15 49.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 83.6 m -161.35 75.5 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -121.27 -78.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 174.99 156.32 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -163.12 -54.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -138.7 -178.64 5.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.23 -42.78 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -77.44 -21.87 52.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.696 ' CG2' HD13 ' A' ' 66' ' ' LEU . 15.6 m -138.12 45.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -75.6 -58.59 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -17.81 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.2 t -63.92 -14.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.107 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -1.37 9.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.13 -15.36 11.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -115.15 -30.91 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -86.55 -16.27 37.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 5.2 p -176.59 84.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 p -113.1 -13.35 13.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.616 HG22 ' NE ' ' A' ' 23' ' ' ARG . 93.0 t -90.12 135.92 25.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -142.9 155.27 44.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 144.42 42.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG13 ' HB2' ' A' ' 20' ' ' LYS . 2.3 p -132.61 115.78 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -66.04 149.47 50.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.72 -25.39 40.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.75 73.79 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 50' ' ' GLU . 0.8 OUTLIER -140.75 165.42 27.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.701 0.286 . . . . 0.0 111.153 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -112.43 153.09 27.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.642 HG11 ' HG2' ' A' ' 97' ' ' GLU . 13.9 t -61.73 -18.22 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' ' 50' ' ' GLU . 4.8 t -90.66 -22.83 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.625 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -64.58 -32.45 74.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CE1' HG23 ' A' ' 45' ' ' VAL . 6.3 m-85 -77.27 -19.77 56.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.43 -17.76 61.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.148 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.17 16.06 21.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 53' ' ' GLU . 88.6 t -120.13 -32.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.1 t -90.36 -19.87 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 63' ' ' VAL . . . -73.08 -25.2 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.09 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.13 -41.79 10.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.6 -44.0 96.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.08 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 58' ' ' VAL . 20.8 m -58.61 -38.94 74.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG13 ' CD1' ' A' ' 80' ' ' LEU . 90.6 t -62.07 -65.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.78 -30.16 13.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 88.9 m -77.7 -36.18 51.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD12 ' CZ3' ' A' ' 83' ' ' TRP . 13.3 mt -107.05 60.9 0.62 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.736 ' N ' ' CD ' ' A' ' 68' ' ' PRO . 2.6 mm100 -127.17 35.7 0.3 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.584 0.707 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' A' ' 67' ' ' GLN . 54.1 Cg_endo -69.69 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 68' ' ' PRO . 3.2 m -155.98 74.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 p -60.59 -18.7 54.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -57.53 -19.92 28.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.2 mt -92.51 -55.13 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.516 ' N ' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -52.67 -40.58 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -70.9 -24.94 62.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -75.46 -29.77 59.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.5 mtm -89.41 -30.19 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 143.2 -36.16 1.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.89 108.88 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.46 131.76 34.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.649 ' CD1' HG13 ' A' ' 63' ' ' VAL . 1.0 OUTLIER -90.87 -30.42 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -16.64 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 85' ' ' VAL . 7.5 pt-20 -84.92 -30.7 24.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.735 ' CZ3' HD12 ' A' ' 66' ' ' LEU . 16.5 m0 -49.91 -50.93 44.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.49 -43.49 93.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 85' ' ' VAL . 5.3 p -97.13 35.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 82' ' ' GLU . . . -117.76 163.0 17.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 t -89.23 138.75 31.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -129.58 121.76 27.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -103.51 171.17 7.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.712 HD22 ' CE ' ' A' ' 103' ' ' MET . 1.3 mp -141.73 155.29 45.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -155.06 -178.07 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -137.65 -169.26 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -87.95 2.47 51.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.24 -7.64 21.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 84.52 33.09 20.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.54 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.567 ' HG3' ' ND2' ' A' ' 98' ' ' ASN . 11.2 pt-20 -143.09 142.1 31.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.642 ' HG2' HG11 ' A' ' 51' ' ' VAL . 13.1 tt0 -83.87 91.15 7.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.567 ' ND2' ' HG3' ' A' ' 96' ' ' GLU . 0.7 OUTLIER -136.63 -169.29 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -111.04 60.75 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -178.5 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.89 -49.99 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -124.62 121.84 35.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.712 ' CE ' HD22 ' A' ' 90' ' ' LEU . 7.0 ptm -115.84 130.26 56.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -85.03 139.65 31.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.571 ' HB2' HG21 ' A' ' 24' ' ' ILE . 17.1 t -97.08 100.99 12.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.68 150.5 23.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -95.44 -0.75 52.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.42 ' HB2' ' HD2' ' A' ' 109' ' ' PRO . 31.9 p90 -111.16 154.98 43.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.638 0.732 . . . . 0.0 110.928 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 108' ' ' TYR . 54.2 Cg_endo -69.73 167.77 23.45 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.377 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -48.47 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.73 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 stop_ save_